Papers using EPW


As of Jan. 12, 2023, the number of papers per year using EPW and citing 2010 [J. Noffsinger et al., Comput. Phys. Comm. 181, 2140 (2010)] and 2016 [S. Poncé et al., Comput. Phys. Commun. 209, 116 (2016)] EPW technical papers.

EPW was used to calculate electron-phonon properties in the following papers:

Z. Shu et al.
High-performance thermoelectric monolayer γ-GeSe and its group-IV monochalcogenide isostructural family
A. Wang et al.
First-principles based computational framework for the thermal conductivity of complex intermetallics: The case study of MgZn2 and Mg4Zn7
Neelesh Gupta and Rekha Verma
Effect of electron–phonon coupling on transport properties of monolayer germanene: A thermoelectric perspective
Z. Tong et al.
Anisotropic Phononic and Electronic Thermal Transport in BeN4
J. Li et al.
A Strong Two-Dimensional Semiconductor l-B4C with High Carrier Mobility
K.-C. Zhang et al.
Effect of quartic anharmonicity on the carrier transport of cubic halide perovskites CsSnI3 and CsPbI3
D. Guo et al.
The room-temperature thermoelectric property of PbTe enhanced by mean-free-path filtering
S. Qi et al.
Tunable goniopolarity of graphenelike boron layers in metal diborides
Y. Wu et al.
Excellent response to near ultraviolet light and large intervalley scatterings of electrons in 2D SnS2
X. Zhao et al.
A two-dimensional topological nodal-line material MgN4 with extremely large magnetoresistance
S. Insad et al.
Two-dimensional stanene: Electron-phonon interaction
A. Wu et al.
High thermoelectric performances in PbP monolayers considering full electron-phonon coupling and four-phonon scattering processes
S. Tang et al.
Optimized Active Cooling and Refrigeration using Antidoted Graphene for Heat Management of Microelectronics
C. Pei et al.
Distinct superconducting behaviors of pressurized WB2 and ReB2 with different local B layers
S. Huang et al.
First-Principles Study of Silicon–Tin Alloys as a High-Temperature Thermoelectric Material
C. Zhang et al.
Discovering 2D Semiconductors with High Intrinsic Carrier Mobility at Room Temperature
K. Sharman et al.
A first-principles calculation of electron-phonon interactions for the C2CN and VNNB defects in hexagonal boron nitride
E. A. Moujaes and W. A. Diery
Electron–phonon coupling in lightly n-doped 1T monolayers of PdSTe and PdSeTe: A rigid band approximation approach
V. Askarpour and J. Maassen
First-principles analysis of intravalley and intervalley electron-phonon scattering in thermoelectric materials
H. Xie et al.
Surface hopping dynamics in periodic solid-state materials with a linear vibronic coupling model
T. Esswein and N. A. Spaldin
First-principles calculation of electron-phonon coupling in doped KTaO3
T. Deng et al.
Phonon-limited carrier mobilities and Hall factors in 4H-SiC from first principles
R. Bombín et al.
Anomalous transient blueshift in the internal stretch mode of CO/Pd(111)
S. Yao et al.
Fermi surface topology and anisotropic superconducting gap in electron-doped hydride compounds at high pressure
B. Zhai et al.
Prediction of ferroelectric superconductors with reversible superconducting diode effect
M. Settipalli et al.
The effect of electron–phonon and electron-impurity scattering on the electronic transport properties of silicon/germanium superlattices
L. Feng et al.
Nontrivial effect of out-of-plane acoustic phonon mode on limiting room temperature conductivity of ABA-stacked trilayer graphene
J. Huang et al.
First-principles calculations of double resonance Raman spectra for monolayer MoTe2
Z. Yuan et al.
Computational design of a new layered superconductor LaOTlF2
J. Berges et al.
Phonon self-energy corrections: To screen, or not to screen
Z. Liu and B. Wang
Biaxial strain engineering on the superconducting properties of MgB2 monolayer
J. Sun et al.
Electron mean-free-path filtering in n-type SnSe for improved thermoelectric performance at room temperature
H. Shao et al.
Thermoelectric performance in a Si allotrope with ultralow thermal conductivity: a first-principles study combining phonon-limited electronic transport calculations
S. Han et al.
Effects of electron-phonon coupling on the phonon transport properties of the Weyl semimetals NbAs and TaAs: A comparative study
K.-Y. Song et al.
Study on CoAl intermetallic compound films for advanced interconnect applications: Experimental and DFT investigations
J. Leveillee et al.
Anisotropic-strain-enhanced hole mobility in GaN by lattice matching to ZnGeN2 and MgSiN2
Y. Zhang et al.
Four-phonon and electron–phonon scattering effects on thermal properties in two-dimensional 2H-TaS2
W. Y. Jiao et al.
Surprisingly good thermoelectric performance of monolayer C3N
J. Lim et al.
Creating superconductivity in WB2 through pressure-induced metastable planar defects
L.-Y. Cheng et al.
Thickness-dependent thermoelectric transporting properties of few-layered SnSe
A. Giri et al.
Exceptionally Enhanced Thermal Conductivity of Aluminum Driven by Extreme Pressures: A First-Principles Study
Z. Tong et al.
Ultrahigh Electron Thermal Conductivity in T-Graphene, Biphenylene, and Net-Graphene
R. Hu et al.
Ultralow lattice thermal conductivity and high thermoelectric performance of the WS2/WTe2 van der Waals superlattice
C. Sevik et al.
High-temperature multigap superconductivity in two-dimensional metal borides
J. Ji et al.
Functional-Unit-Based Material Design: Ultralow Thermal Conductivity in Thermoelectrics with Linear Triatomic Resonant Bonds
P.-F. Liu et al.
Two-gap superconductivity in a Janus MoSH monolayer
H. Xu et al.
Nonlinear nonreciprocal photocurrents under phonon dressing
J. Huang et al.
New selection rule of resonant Raman scattering in MoS2 monolayer under circular polarization
Z. Tong et al.
Multitemperature Modeling of Thermal Transport across a Au–GaN Interface from Ab Initio Calculations
C. Zhang et al.
Phonon-limited transport of two-dimensional semiconductors: Quadrupole scattering and free carrier screening
S. Zheng et al.
Symmetry-guaranteed high carrier mobility in quasi-2D thermoelectric semiconductors
N. S. Fedorova et al.
Anomalous Thermoelectric Transport Phenomena from First-Principles Computations of Interband Electron–Phonon Scattering
Z. Zhou et al.
Anomalous Thermal Transport Driven by Electron–Phonon Coupling in 2D Semiconductor h-BP
Z. Tong et al.
Significant Increase of Electron Thermal Conductivity in Dirac Semimetal Beryllonitrene by Doping Beyond Van Hove Singularity
M. Daeumer et al.
Orientation-dependent transport properties of Cu3Sn
Z. Lin et al.
Phonon-Limited Valley Polarization in Transition-Metal Dichalcogenides
J. Shin et al.
High ambipolar mobility in cubic boron arsenide
H. -C. Pai and Y. -R. Wu
Study of Carrier Scattering and Mobility in Monolayer MoTe2 and WTe2 by First-Principle Analysis
W. H. Sio and F. Giustino
Unified ab initio description of Fröhlich electron-phonon interactions in two-dimensional and three-dimensional materials
R. Sen et al.
Photoexcited electron dynamics and energy loss rate in silicon: temperature dependence and main scattering channels
S. Song et al.
Exceptionally high phonon-limited carrier mobility in BX (X = P, As, Sb) monolayers
S. Song et al.
Abnormally weak intervalley electron scattering in MoS2 monolayer: insights from the matching between electron and phonon bands
N. T. Hung et al.
Enhanced thermoelectric performance by van Hove singularities in the density of states of type-II nodal-line semimetals
M. S. Muntini et al.
Spin-tunable thermoelectric performance in monolayer chromium pnictides
M. G. Rosul and M. Zebarjadi
Effect of Electron–Phonon Interaction and Ionized Impurity Scattering on the Room-Temperature Thermoelectric Properties of Bulk MoSe2
H. Jeon et al.
Electron–phonon coupling and superconductivity in an alkaline earth hydride CaH6 at high pressures
M. Zarea et al.
Effects of anisotropy and disorder on the superconducting properties of Niobium
D. Zhang et al.
A New Superconductor of BeB2C Under Atmospheric Pressure
R. Lucrezi et al.
In-silico synthesis of lowest-pressure high-Tc ternary superhydrides
Z. Wan et al.
Superconductivity and magnetism in compressed actinium-beryllium-hydrogen alloys
R. Lucrezi et al.
Quantum lattice dynamics and their importance in ternary superhydride clathrates
X. Zhang et al.
Ab initio theory of free-carrier absorption in semiconductors
B. Szpunar
First principles investigation of the electronic-thermal transport of ThN, UN, and ThC
W. Liao et al.
Electron–phonon coupling factor and electron heat capacity of 6H-SiC
S. Das et al.
Electron-phonon coupling and spin fluctuations in the Ising superconductor NbSe2
N. S. Sitaraman et al.
Theory of Nb-Zr Alloy Superconductivity and First Experimental Demonstration for Superconducting Radio-Frequency Cavity Applications
A. Sihi and S. K. Pandey
Evidence of phase stability, topological phonon and temperature-induced topological phase transition in rocksalt SnS and SnSe
H.-C. Pai and Y.-R. Wu
Investigating the high field transport properties of Janus WSSe and MoSSe by DFT analysis and Monte Carlo simulations
T. Fei et al.
Temperature-dependent infrared dielectric functions and hybrid phonon-polaritons in wurtzite GaN: A spectroscopic ellipsometry and multiscale simulation study
M. Ghim and S.-H. Jhi
Kohn anomalies in topological insulator thin films: first-principles study
Z. Zhou et al.
Giant Phonon Anomaly in Topological Nodal-Line Semimetals
T. Hu et al.
Prediction of new phase 2D C2h group III monochalcogenides with direct bandgaps and highly anisotropic carrier mobilities
Z. Wei et al.
Extremely low-energy collective modes in a quasi-one-dimensional topological system
T. Pandey et al.
Pivotal role of magnetic ordering and strain in lattice thermal conductivity of chromium-trihalide monolayers
A. Marrazzo
Thermal robustness of the quantum spin Hall phase in monolayer WTe2
C. Li and L. Cheng
Intrinsic electron transport in monolayer MoSi2N4 and WSi2N4
E. Johansson et al.
The effect of strain and pressure on the electron-phonon coupling and superconductivity in MgB2—Benchmark of theoretical methodologies and outlook for nanostructure design
R. Biele and R. D’Agosta
Transport coefficients of layered TiS3
J. Lu et al.
First-principle study on electronic structures and optical properties of Au-Cu intermetallic compounds
F. Macheda et al.
Electron-phonon interaction and phonons in 2d doped semiconductors
Q. Jiang et al.
Ternary superconducting hydrides stabilized via Th and Ce elements at mild pressures
Y. Pang et al.
Accurate assignment of double resonant Raman bands in Janus MoSSe monolayer from first-principles calculations
J. jo et al.
Experimental and theoretical study of hole scattering in RF sputtered p-type Cu2O thin films
C. E. P. Villegas et al.
Efficient hot-carrier dynamics in near-infrared photocatalytic metals
A. Kumara and U. Singisetti
Full-band Monte Carlo simulation of two-dimensional electron gas in (AlxGa1−x)2O3/Ga2O3 heterostructures
A. Wang et al.
Roles of electrons on the thermal transport of 2D metallic MXenes
F. Macheda et al.
Electron-Phonon Interaction and Longitudinal-Transverse Phonon Splitting in Doped Semiconductors
S. Nayak et al.
First-principles study on the superconductivity of doped zirconium diborides
X.-L. Qiu et al.
Superconductivity in monolayer Ba2N electride: First-principles study
J. Wang et al.
The carrier mobility of monolayer and bulk GaS: from first-principles calculations
Y. Ye et al.
Calculating electron-phonon coupling matrix: Theory introduction, code development and preliminary application
H. Jeon et al.
Electron–phonon coupling and superconductivity in an alkaline earth hydride CaH6 at high pressures
M. Alidoosti et al.
Superconducting properties of doped blue phosphorene: effects of non-adiabatic approach
X. Huang et al.
Impact of electron-phonon interactions on phonon transport in diamond and c-BN
C. Li et al.
Colossal phonon drag enhanced thermopower in lightly doped diamond
G. P. Kafle et al.
Ab initio study of Li-Mg-B superconductors
H. Mei et al.
Finite-momentum excitons and the role of electron–phonon couplings in the electronic and phonon transport properties of boron arsenide
P. Tsuppayakorn-aek et al.
Superconducting Gap of Pressure Stabilized (Al0.5Zr0.5)H3 from Ab Initio Anisotropic Migdal–Eliashberg Theory
M. Zacharias et al.
Anharmonic lattice dynamics via the special displacement method
M. Dogan et al.
High temperature superconductivity in the candidate phases of solid hydrogen
Z. Yang and H. Zhang
Coexistence of pressure-induced superconductivity and topological surface states in elementary substance Sb
J. Ma et al.
First-principles study of the drift and Hall mobilities of perovskite BaSnO3
J. Liang et al.
Computational Study of the C2P4 Monolayer as a Stable Two-Dimensional Material with High Carrier Mobility: Implications for Nanoelectronic Devices
U. Singh et al.
Low lattice thermal conductivity in alkali metal based Heusler alloys
L. Feng et al.
The nearly free electron states and the conductivity limited by electron–phonon scattering of an OH-terminated MXene material, a case study of the Hf2C(OH)2 monolayer
Z. Qi et al.
Morphology and carrier mobility of high-B-content BxAl1−xN ternary alloys from an ab initio global search
M. Dogan et al.
Prediction of high-temperature superconductivity in C2/c−24 solid hydrogen
S. Poncé et al.
Long-range electrostatic contribution to the electron-phonon couplings and mobilities of two-dimensional materials
R. Sen et al.
Hot electron relaxation and energy loss rate in silicon: Temperature dependence and main scattering channels
X. Zhang et al.
Pressure-dependent thermal conductivity in Al, W, and Pt: Role of electrons and phonons
S. Li et al.
Anomalously Isotropic Electron Transport and Weak Electron–Phonon Interactions in Hexagonal Noble Metals
E. Cappelluti and D. Novko
Fingerprints of hot-phonon physics in time-resolved correlated quantum lattice dynamics
B. Szpunar et al.
Comparison of the electronic transport of ThN against ThC
T. L. Britt et al.
Direct View of Phonon Dynamics in Atomically Thin MoS2
G. Varnavides et al.
Mesoscopic finite-size effects of unconventional electron transport in PdCoO2
S. R. Xie et al.
Machine learning of superconducting critical temperature from Eliashberg theory
L. Li et al.
Converting a Monolayered NbSe2 into an Ising Superconductor with Nontrivial Band Topology via Physical or Chemical Pressuring
M. G. Rosul et al.
Low-resistance contact in MoSe2-based solid-state thermionic devices
M. Düvel et al.
Far-from-Equilibrium Electron–Phonon Interactions in Optically Excited Graphene
Z. Han et al.
Raman Linewidth Contributions from Four-Phonon and Electron-Phonon Interactions in Graphene
N. Pant et al.
Increasing the mobility and power-electronics figure of merit of AlGaN with atomically thin AlN/GaN digital-alloy superlattices
N. Girotto and D. Novko
Dynamical renormalization of electron-phonon coupling in conventional superconductors
N. H. Protik et al.
The elphbolt ab initio solver for the coupled electron-phonon Boltzmann transport equations
Z. S. Pereira et al.
Strain-induced multigap superconductivity in electrene Mo2N: a first principles study
C. Xia and Y. Chen
Role of long-range interaction on the electrical transport and electron–phonon scattering in thermoelectric Mg2Si
Y. Dai et al.
Simultaneous enhancement in electrical conductivity and Seebeck coefficient by single- to double-valley transition in a Dirac-like band
K. Akiba et al.
Observation of superconductivity and its enhancement at the charge density wave critical point in LaAgSb2
S.-F. Wang et al.
Intrinsic Ultralow Lattice Thermal Conductivity in the Full-Heusler Compound Ba2AgSb
T.-T. Gai et al.
Van Hove singularity induced phonon-mediated superconductivity above 77 K in hole-doped SrB3C3
Y. Su et al.
Investigation of carrier transport behavior for cubic CH3NH3SnX3 and CH3NH3PbX3 (X=Br and I) using Boltzmann transport equation
E. A. Stepanov et al.
Coexisting charge density wave and ferromagnetic instabilities in monolayer InSe
W.-H. Dong et al.
Superconductivity and topological aspects of two-dimensional transition-metal monohalides
X. Yan et al.
Enhanced superconductivity in CuH2 monolayers
Z. Zhang et al.
Emergent topological superconductivity in Bi-intercalated van der Waals layered SiTe2
M. Dutta et al.
Local Symmetry Breaking Suppresses Thermal Conductivity in Crystalline Solids
J. Lafuente-Bartolome et al.
Ab initio self-consistent many-body theory of polarons at all couplings
C. Wang et al.
Origin of charge density wave in the layered kagome metal CsV3Sb5
C.-S. Lian et al.
Intrinsic and doping-enhanced superconductivity in monolayer 1H−TaS2: Critical role of charge ordering and spin-orbit coupling
A. Sood et al.
Bidirectional phonon emission in two-dimensional heterostructures triggered by ultrafast charge transfer
J. Lafuente-Bartolome et al.
Unified Approach to Polarons and Phonon-Induced Band Structure Renormalization
C. Wang et al.
Charge density wave and superconductivity in the kagome metal CsV3Sb5 around a pressure-induced quantum critical point
C. E. P. Villegas and A. R. Rocha
Near-Infrared Optical Response and Carrier Dynamics for High Photoconversion in Tellurene
H. Paudyal and E. R. Margine
Superconducting properties in doped 2M-WS2 from first principles
J. Chen and J. Gao
Strong Electron–Phonon Coupling in 3D WN and Coexistence of Intrinsic Superconductivity and Topological Nodal Line in Its 2D Limit
T. Ng, Y. Luo, J. Yuan, Y. Wu, H. Yang, and L. Shen
Origin and enhancement of the spin Hall angle in the Weyl semimetals LaAlSi and LaAlGe
H. Seiler, D. Zahn, M. Zacharias, P. Hildebrandt, T. Vasileiadis, Y. W. Windsor, Y. Qi, C. Carbogno, C. Draxl, R. Ernstorfer, and F. Caruso
Accessing the Anisotropic Nonthermal Phonon Populations in Black Phosphorus
L. P. R. de Cotret et al.
Direct visualization of polaron formation in the thermoelectric SnSe
J.-M. Lihm and C.-H. Park
Wannier Function Perturbation Theory: Localized Representation and Interpolation of Wave Function Perturbation
M. Ghim et al.
Coexistence of spontaneous polarization and superconductivity in hole-doped oxyhydrides ATiO2H (A=K,Rb,Cs): First-principles study
S. D. Cataldo et al.
LaBH8: Towards high-Tc low-pressure superconductivity in ternary superhydrides
M. Gao et al.
Phonon-mediated high-temperature superconductivity in the ternary borohydride KB2H8 under pressure near 12 GPa
V.-A. Ha et al.
Quasiparticle Band Structure and Phonon-Induced Band Gap Renormalization of the Lead-Free Halide Double Perovskite Cs2InAgCl6
J. Leveillee et al.
Phonon-Limited Mobility and Electron–Phonon Coupling in Lead-Free Halide Double Perovskites
J. Park et al.
When band convergence is not beneficial for thermoelectrics
Y. Su et al.
Investigation of biaxial strain behavior and phonon-limited mobility for γ graphyne: First-principles calculation
S. Poncé et al.
First-principles predictions of Hall and drift mobilities in semiconductors
P. Modak et al.
Prediction of superconductivity at 70 K in a pristine monolayer of LiBC
L. V. Begunovich et al.
Single-layer polymeric tetraoxa[8]circulene modified by s-block metals: toward stable spin qubits and novel superconductors
Y. Liang et al.
A cage boron allotrope with high superconductivity at ambient pressure
N. Sanders and E. Kioupakis
Phonon- and defect-limited electron and hole mobility of diamond and cubic boron nitride: A critical comparison
M. Zacharias and P. C. Kelires
Quantum Confinement of Electron–Phonon Coupling in Graphene Quantum Dots
Z. Wang et al.
Three-gap superconductivity in two-dimensional InB2/InB4 films
S. M., Andrew et al.
First-principles study of electron transport in ScN
B. Szpunar et al.
First principles investigation of thermal properties of thorium mononitride
Y. Su et al.
Stability and phonon-limited mobility for CsSnI3 and CsPbI3
D. Wu et al.
Enhanced superconductivity in bilayer PtTe2 by alkali-metal intercalations
S. Lee et al.
Oxidation-enhanced thermoelectric efficiency in a two-dimensional phosphorene oxide
Q. Xu et al.
First-Principles Study of All Thermoelectric Properties of Si-Ge Alloys Showing Large Phonon Drag from 150 to 1100 K
S. P. Keshri and A. Medhi
Enhanced thermoelectric efficiency of monolayer InP3 under strain: a first-principles study
L. Cheng et al.
Intrinsic charge carrier mobility of 2D semiconductors
M. M. Khatami et al.
First-principles study of electronic transport in germanane and hexagonal boron nitride
X. Yang et al.
Tuning the phonon transport in bilayer graphene to an anomalous regime dominated by electron-phonon scattering
Y. Falke et al.
Coupling to zone-center optical phonons in VSe2 enhanced by charge density waves
E. Minamitani
Ab initio analysis for the initial process of Joule heating in semiconductors
C. Q. Xia et al.
Ultrafast photo-induced phonon hardening due to Pauli blocking in MAPbI3 single-crystal and polycrystalline perovskites
J. Cao et al.
Electron-phonon coupling and electronic thermoelectric properties of n-type PbTe driven near the soft-mode phase transition via lattice expansion
B. Szpunar et al.
Electronic Transport of Uranium Mononitride
D. Logoteta et al.
Intrinsic subthermionic capabilities and high performance of easy-to-fabricate monolayer metal dihalide MOSFETs
R. Lucrezi and C. Heil
Superconductivity and strong anharmonicity in novel Nb–S phases
K. Kempa et al.
Enhancement of superconductivity via resonant anti-shielding with topological plasmon-polarons
W. Zhang et al.
Two-dimensional square-Au2S monolayer: A promising thermoelectric material with ultralow lattice thermal conductivity and high power factor
Q.-L. Yang et al.
Group velocity matters for accurate prediction of phonon-limited carrier mobility
D. Nielsen et al.
Investigating the use of HSE Hybrid Functionals to Improve Electron Transport Calculations in Si, Ge, Diamond, and SiC
T. Cheng et al.
Ellipsometric and first-principles study on temperature-dependent UV–Vis dielectric functions of GaN
J.-F. Zhang et al.
First-principles study of the double-dome superconductivity in the kagome material CsV3Sb5 under pressure
K.-C. Zhang et al.
Thickness-dependent anisotropic transport of phonons and charges in few-layered PdSe2
J.-H. Lee and Y.-W. Son
Gate-tunable superconductivity and charge-density wave in monolayer 1T′-MoTe2 and 1T′-WTe2
Y. Wu et al.
Strong electron–phonon coupling influences carrier transport and thermoelectric performances in group-IV/V elemental monolayers
E. Osei-Agyemang et al.
Examining the electron transport in chalcogenide perovskite BaZrS3
Y. Chen et al.
Renormalized thermoelectric figure of merit in a band-convergent Sb2Te2Se monolayer: full electron–phonon interactions and selection rules
J.-F. Zhang et al.
First-principles study of the crystal structure, electronic structure, and transport properties of NiTe2 under pressure
H. Mori et al.
First-principles study of the electrical resistivity in zirconium dichalcogenides with multivalley bands: Mode-resolved analysis of electron-phonon scattering
T.-H. Park et al.
Maximal superconductivity in proximity to the charge density wave quantum critical point in CuxTiSe2
Y. Quan et al.
First-principles study of superconductivity in α and β gallium
W. Zhang et al.
Two-dimensional square-Au2S monolayer: A promising thermoelectric material with ultralow lattice thermal conductivity and high power factor
A. R. T. Nugraha et al.
Ultrafast optical absorption and coherent phonon generation in monolayer and bilayer transition metal dichalcogenides
W. J. Kim et al.
First principles investigations of the optical selectivity of titanium carbide-based materials for concentrating solar power applications
N. Gupta and R. Verma
Thermoelectric performance of silicene under uniform biaxial strain: A first principles study
J. Cui, S. Li, C. Xia, Y. Chen, and J. He
Pressure effects on the electrical transport and anharmonic lattice dynamics of r-GeTe: A first-principles study
W. Zhang, T. Fei, T. Cheng, C. Zheng, Y. Dong, J.-Y. Yang, and L. Liu
Doping and temperature-dependent UV-Vis optical constants of cubic SrTiO3: a combined spectroscopic ellipsometry and first-principles study
I. Serifi, N. B. J. Kanga, L. B. Drissi, and E. H. Saidi
Electron-phonon contribution in aluminene: Superconductive and transport properties
J. Leveillee, G. Volonakis, and F. Giustino
Phonon-Limited Mobility and Electron–Phonon Coupling in Lead-Free Halide Double Perovskites
D. Novko, V. Despoja, M. Reutzel, A. Li, H. Petek, and B. Gumhalter
Plasmonically assisted channels of photoemission from metals
Z. Torbatian, D. Novko, and R. Asgari
Hyperbolic plasmon modes in tilted Dirac cone phases of borophene
F. Caruso, P. Amsalem, J. Ma, A. Aljarb, T. Schultz, M. Zacharias, V. Tung, N. Koch, and C. Draxl
Two-dimensional plasmonic polarons in n-doped monolayer MoS2
R.-Y. Zhao, X.-W. Yan, and M. Gao
Inverted V-shaped evolution of superconducting temperature in SrBC under pressure
Z. Dai, A. M. Schankler, L. Gao, L. Z. Tan, and A. M. Rappe
Phonon-Assisted Ballistic Current from First-Principles Calculations
G. Sharma, V. K. Pandey, S. Datta, and P. Ghosh
Effect of electron–phonon coupling on the transport properties of monolayers of ZrS2, BiI3 and PbI2: a thermoelectric perspective
Z. Li, P. Graziosi, and N. Neophytou
Deformation potential extraction and computationally efficient mobility calculations in silicon from first principles
J.-N. Wang, X.-W. Yan, and M. Gao
High-temperature superconductivity in SrB3C3 and BaB3C3 predicted from first-principles anisotropic Migdal-Eliashberg theory
M. Zacharias, H. Seiler, F. Caruso, D. Zahn, F. Giustino, P. C. Kelires, and R. Ernstorfer
Multiphonon diffuse scattering in solids from first principles: Application to layered crystals and two-dimensional materials
T. A. Huang, M. Zacharias, D. K. Lewis, F. Giustino, and S. Sharifzadeh
Exciton–Phonon Interactions in Monolayer Germanium Selenide from First Principles
C. Q. Xia, J. Peng, S. Poncé, J. B. Patel, A. D. Wright, T. W. Crothers, M. U. Rothmann, J. Borchert, R. L. Milot, H. Kraus, Q. Lin, F. Giustino, L. M. Herz, and M. B. Johnston
Limits to Electrical Mobility in Lead-Halide Perovskite Semiconductors
M. Petrov, J. Bekaert, and M. V. Milosevic
Superconductivity in gallenene
M. Zacharias, H. Seiler, F. Caruso, D. Zahn, F. Giustino, P. C. Kelires, and R. Ernstorfer
Efficient First-Principles Methodology for the Calculation of the All-Phonon Inelastic Scattering in Solids
A. Kundu, X. Yang, J. Ma, T. Feng, J. Carrete, X. Ruan, G. K. H. Madsen, and W. Li
Ultrahigh Thermal Conductivity of θ-Phase Tantalum Nitride
B.-H. Lei and D. J. Singh
Multigap electron-phonon superconductivity in the quasi-one-dimensional pnictide K2Mo3As3
S. Giaremis, P. Komninou, T. Karakostas, and J. Kioseoglou
Ab Initio Study of the Electron–Phonon Coupling in Ultrathin Al Layers
J.-Y. You, B. Gu, G. Su, and Y. P. Feng
Two-dimensional topological superconductivity candidate in a van der Waals layered material
A. P. Roy, N. Bajaj, R. Mittal, P. D. Babu, and D. Bansal
Quasi-One-Dimensional Fermi Surface Nesting and Hidden Nesting Enable Multiple Kohn Anomalies in α-Uranium
O. Jalil, S. Ahmad, K.-W. Ang, and U. Younis
Behaviour of induced states of substitutional and adatom impurity doping on electronic transport properties of single-layer black phosphorus
M. Zhu, H. Yao, L. Jiang, and Y. Zheng
Large Intrinsic Resistivity of Monolayer Cu2Si and Fermi Surface Nesting
C. Zhang, L. Cheng, and Y. Liu
Role of flexural phonons in carrier mobility of two-dimensional semiconductors: free standing vs on substrate
B. Zhang, F. Guo, M. Zhu, L. Feng, and Y. Zheng
The sensitive tunability of superconducting critical temperature in high-buckled plumbene by shifting Fermi level
J. Chen and Y. Ge
Emergence of intrinsic superconductivity in monolayer W2N3
Z. Li, M. Wu, Y.-H. Chan, and S. G. Louie
Unmasking the Origin of Kinks in the Photoemission Spectra of Cuprate Superconductors
S. Li, X. Zhang, and H. Bao
Thermal transport by electrons and phonons in PdTe2: an ab initio study
F. Caruso
Nonequilibrium Lattice Dynamics in Monolayer MoS2
L. V. Begunovich, A. V. Kuklin, G. V. Baryshnikov, R. R. Valiev, and Hans Ågren
Single-layer polymeric tetraoxa[8]circulene modified by s-block metals: toward stable spin qubits and novel superconductors
Y. Wu, B. Hou, C. Ma, J. Cao, Y. Chen, Z. Lu, H. Mei, H. Shao, Y. Xu, H. Zhu, Z. Fang, R. Zhang, and H. Zhang
Thermoelectric performance of 2D materials: the band-convergence strategy and strong intervalley scatterings
J. Ma, R. Yang, and H. Chen
A large modulation of electron-phonon coupling and an emergent superconducting dome in doped strong ferroelectrics
N. Gupta and R. Verma
First-principles study of thermoelectric transport properties in low-buckled monolayer silicene
Z. Liu and T. Luo
Thermal transport in superconducting niobium nitride: A first-principles study
S. S. Shastri and S. K. Pandey
Studying the lifetime of charge and heat carriers due to intrinsic scattering mechanisms in FeVSb half-Heusler thermoelectric
J. Cao, Y. Wu, H. Zhang, D. Logoteta, S. Zhang, and M. Pala
Dissipative transport and phonon scattering suppression via valley engineering in single-layer antimonene and arsenene field-effect transistors
A. Sharma and U. Singisetti
Low field electron transport in α−Ga2O3: An ab initio approach
C. Wang, S. Liu, H. Jeon, S. Yi, Y. Bang, and J.-H. Cho
Effect of hole doping on superconductivity in compressed CeH9 at high pressures
C. v. Efferen, J. Berges, J. Hall, E. v. Loon, S. Kraus, A. Schobert, T. Wekking, F. Huttmann, E. Plaar, N. Rothenbach, K. Ollefs, L. M. Arruda, N. Brookes, G. Schoenhoff, K. Kummer, H. Wende, T. Wehling, and T. Michely
A full gap above the Fermi level: the charge density wave of monolayer VS2
I. Prigozhin, S. Dominici, and E. Bellotti
FBMC3D-A Large-Scale 3-D Monte Carlo Simulation Tool for Modern Electronic Devices
G. Resende, G. Ribeiro, O. Silveira, J. Lemos, J. C. Brant, D. Rhodes, L. Balicas, M. Terrones, M. S. C. Mazzoni, C. Fantini, B. R. Carvalho, and M. A. Pimenta
Origin of the complex Raman tensor elements in single-layer triclinic ReSe2
J. Ding, C. Liu, L. Xi, J. Xi, and J. Yang
Thermoelectric transport properties in chalcogenides ZnX (X=S, Se): from the role of electron-phonon couplings
Z. Jing, J. Liu, N. Li, H. Wang, K. Wu, Y. Cheng, and B. Xiao
Electron-Phonon Scattering Limited Intrinsic Electrical Conductivity of MXenes X2C (X= Ti or Mo)
C.-S. Lian, C. Si, and W. Duan
Anisotropic Full-Gap Superconductivity in 2M-WS2 Topological Metal with Intrinsic Proximity Effect
X. Duan, J.-C. Ren, X. Zhang, S. Li, and W. Liu
Room-Temperature Thermoelectric Conversion by Dipole-Enhanced Rashba Spin-Orbit Coupling
W. Shi, Z. M. Wong, T. Deng, G. Wu, and S.‐W. Yang
Unravelling the Molecular Origin of Organic Semiconductors with High‐Performance Thermoelectric Response
Z. Liu, W. Liu, R. Zhou, S. Cai, Y. Song, Q. Yao, X. Lu, J. Liu, Z. Liu, Z. Wang, Y. Zheng, P. Wang, Z. Liu, G. Li, and D. Shen
Electron-plasmon interaction induced plasmonic-polaron band replication in epitaxial perovskite SrIrO3 films
Y. Hu, S. Li, and H. Bao
First-principles based analysis of thermal transport in metallic nanostructures: Size effect and Wiedemann-Franz law
D. Campi, S. Kumari, and N. Marzari
Prediction of Phonon-Mediated Superconductivity with High Critical Temperature in the Two-Dimensional Topological Semimetal W2N3
J.-Y. You, B. Gu, G. Su, and Y. P. Feng
Two-dimensional topological superconductivity candidate in a van der Waals layered material
T. Deng, G. Wu, W. Shi, Z. M. Wong, J.-S. Wang, and S.-W. Yang
Ab initio dipolar electron-phonon interactions in two-dimensional materials
Y. Gu, X. Wu, K. Jiang, and J. Hu
BaCuS2: A Superconductor with Moderate Electron-Electron Correlation
A. M. Ganose, J. Park, A. Faghaninia, R. Woods-Robinson, K. A. Persson, and A. Jain
Efficient calculation of carrier scattering rates from first principles
J. P. Ruf, H. Paik, N. J. Schreiber, H. P. Nair, L. Miao, J. K. Kawasaki, J. N. Nelson, B. D. Faeth, Y. Lee, B. H. Goodge, B. Pamuk, C. J. Fennie, L. F. Kourkoutis, D. G. Schlom, and K. M. Shen
Strain-stabilized superconductivity
J.-J. Zhou, J. Park, I-T. Lu, I. Maliyov, X. Tong, and M. Bernardi
Perturbo: A software package for ab initio electron–phonon interactions, charge transport and ultrafast dynamics
G. B. Osterhoudt, Y. Wang, C. A. C. Garcia, V. M. Plisson, J. Gooth, C. Felser, P. Narang, and K. S. Burch
Evidence for Dominant Phonon-Electron Scattering in Weyl Semimetal WP2
M. Alidoosti, D. N. Esfahani, and R. Asgari
Charge density wave and superconducting phase in monolayer InSe
D. Yadav, F. Pauly, and M. Trushin
Charge-carrier thermalization in bulk and monolayer CdTe from first principles
M. Ghim, N. Sato, R. Akashi, S.-H. Jhi, and S. Tsuneyuki
Coexistence of spontaneous polarization and superconductivity in hole-doped oxyhydrides ATiO2H (A = K, Rb, Cs ): First-principles study
J. Wang, X. Sui, W. Duan, F. Liu, and B. Huang
Density-independent plasmons for terahertz-stable topological metamaterialss
S. Yue, B. Deng, Y. Liu, Y. Quan, R. Yang, and B. Liao
Phonon softening near topological phase transitions
J.-F. Zhang, M. Gao, K. Liu, and Z.-Y. Lu
First-principles study of the robust superconducting state of NbTi alloys under ultrahigh pressures
M. E. Mliles, Y. E. Kouari, and A. Hajjaji
Ab initio study of electron and phonon coupling in silicon
E. Emmanouilidou, S. Mardanya, J. Xing, P. V. S. Reddy, A. Agarwal, T.-R. Chang, and N. Ni
Fermiology and type-I superconductivity in the chiral superconductor NbGe2 with Kramers-Weyl fermions
H. T. T. Nguyen, V. T. T. Vi, T. V. Vu, N. V. Hieu, D. V. Lu, D. P. Rai, and N. T. T. Binh
Spin-orbit coupling effect on electronic, optical, and thermoelectric properties of Janus Ga2SSe
N. H. Protik and B. Kozinsky
Electron-phonon drag enhancement of transport properties from a fully coupled ab initio Boltzmann formalism
X. Zhou and Z. Zhang
Electron–phonon coupling in CsPbBr3
F. Macheda, S. Poncé, F. Giustino, and N. Bonini
Theory and Computation of Hall Scattering Factor in Graphene
X. Yang, A. Jena, F. Meng, S. Wen, J. Ma, X. Li, and W. Li
Indirect electron-phonon interaction leading to significant reduction of thermal conductivity in graphene
Q. Huang, J. Ma, D. Xu, R. Hu, and X. Luo
High thermoelectric figure of merit in monolayer Tl2O from first principles
S. Gopalan, G. Gaddemane, M. L. V. d. Put, and M. V. Fischetti
Theoretical study of electronic transport in monolayer SnSe
D. Logoteta, J. Cao, M. Pala, P. Dollfus, Y. Lee, and G. Iannaccone
Cold-source paradigm for steep-slope transistors based on van der Waals heterojunctions
L. Cheng, C. Zhang, and Y. Liu
Why Two-Dimensional Semiconductors Generally Have Low Electron Mobility
Z. M. Wong, T. Deng, W. Shi, G. Wu, and S.-W. Yang
Strain Effects on the n-Type Thermoelectric Performance of the Small-Molecule Organic Semiconductor 2-5-Difluoro-7,7,8,8-Tetracyanoquinodimethane
Y. Quan and W. E. Pickett
Li2xBC3 : Prediction of a second MgB2-class high-temperature superconductor
B. Zhang, M. Zhu, Z. Liu, F. Guo, and Y. Zheng
Temperature-dependent electron-phonon spectral function and the intrinsic resistivity of a metal: A case study of monolayer Ti2N
Y. Zhao, C. Lian, S. Zeng, Z. Dai, S. Meng, and J. Ni
Anomalous electronic and thermoelectric transport properties in cubic Rb3AuO antiperovskite
R. Paul, S. X. Hu, V. V. Karasiev, S. A. Bonev, and D. N. Polsin
Thermal effects on the electronic properties of sodium electride under high pressures
J. Ma, F. Meng, J. He, Y. Jia, and W. Li
Strain-Induced Ultrahigh Electron Mobility and Thermoelectric Figure of Merit in Monolayer α-Te
C. Xia, J. Cui, and Y. Chen
Modulation of Band Alignment and Electron–Phonon Scattering in Mg3Sb2 via Pressure
C. Zhang, L. Cheng, and Y. Liu
Understanding high-field electron transport properties and strain effects of monolayer transition metal dichalcogenides
Y. Wu, B. Hou, Y. Chen, J. Cao, C. Ma, H. Shao, Y. Zhang, Z. Lu, H. Zhu, Z. Fang, R. Zhang, and H. Zhang
Towards Accurate Predictions of Carrier Mobilities and Thermoelectric Performances in 2D Materials
Y. Ge, W. Wan, Y. Ren, F. Li, and Y. Liu
Phonon-limited electronic transport of two-dimensional ultrawide bandgap material h-BeO
R. D’Souza, J. Cao, J. D. Querales-Flores, S. Fahy, and I. Savić
Electron-phonon scattering and thermoelectric transport in p-type PbTe from first principles
C. Liu, M. Yao, J. Yang, J. Xi, and X. Ke
Strong electron-phonon interaction induced significant reduction in lattice thermal conductivities for single-layer MoS2 and PtSSe
M. M. Khatami, G. Gaddemane, M. L. V. d. Put, M. K. Moravvej-Farshi, and W. G. Vandenberghe
Electronic transport properties of hydrogenated and fluorinated graphene: a computational study
Y. Su, S. Cao, L.-B. Shi, and P. Qian
Phonon-limited mobility for novel two-dimensional semiconductors of BC3 and C3N: First-principles calculation
S. Wen, J. Ma, A. Kundu, and W. Li
Large lattice thermal conductivity, interplay between phonon-phonon, phonon-electron, and phonon-isotope scatterings, and electrical transport in molybdenum from first principles
J. Liu, Y. Zhao, Z. Dai, J. Ni, and S. Meng
Low thermal conductivity and good thermoelectric performance in mercury chalcogenides
Z. Cui, Y. Qian, W. Zhang, H. Weng, and Z. Fang
Type-II Dirac Semimetal State in a Superconductor Tantalum Carbide
J. Ma, F. Meng, D. Xu, R. Hu, and X. Luo
Electron mobility and mode analysis of scattering for β-Ga2sO3 from first principles
Z. R. Kudrynskyi, X. Wang, J. Sutcliffe, M. A. Bhuiyan, Y. Fu, Z. Yang, O. Makarovsky, L. Eaves, A. Solomon, V. T. Maslyuk, Z. D. Kovalyuk, L. Zhang, and A. Patanè
Van der Waals SnSe2(1−x)S2x Alloys: Composition‐Dependent Bowing Coefficient and Electron–Phonon Interaction
D. Novko, F. Caruso, C. Draxl, and E. Cappelluti
Ultrafast Hot Phonon Dynamics in MgB2 Driven by Anisotropic Electron-Phonon Coupling
A. Anikin, R. D. Schaller, G. P. Wiederrecht, E. R. Margine, I. I. Mazin, and G. Karapetrov
Ultrafast dynamics in the high-symmetry and in the charge density wave phase of 2H−NbSe2
X. Liu, Z. Ding, J. Liu, W. Hu, and J. Yang
Two-dimensional Ca4N2 as a one-dimensional electride [Ca4N2]2+·2e− with ultrahigh conductance
O. Jalil, S. Ahmad, X. Liu, K. W. Ang, and U. Younis
Towards theoretical framework for probing the accuracy limit of electronic transport properties of SnSe2 using many-body calculations
J. D. Querales-Flores, P. Aguado-Puente, Đ. Dangić, J. Cao, P. Chudzinski, T. N. Todorov, M. Grüning, S. Fahy, and I. Savić
Towards temperature-induced topological phase transition in SnTe: A first principles study
J. Zhang and G. Q. Huang
The superconductivity and topological surface state of type-II Dirac semimetal NiTe2
D.-S. Tang, G.-Z. Qin, M. Hu, and B.-Y. Cao
Thermal transport properties of GaN with biaxial strain and electron-phonon coupling
X. Gu, S. Li, and H. Bao
Thermal conductivity of silicon at elevated temperature: Role of four-phonon scattering and electronic heat conduction
S. Li, Z. Tong, X. Zhang, and H. Bao
Thermal conductivity and Lorenz ratio of metals at intermediate temperatures with mode-level first-principles analysis
L.-B. Shi, S. Cao, M. Yang, Q. You, K.-C. Zhang, Y. Bao, Y.-J. Zhang, Y.-Y. Niu, and P. Qian
Theoretical prediction of intrinsic electron mobility of monolayer InSe: first-principles calculation
N. Mascello, N. A. Spaldin, A. Narayan, and Q. N. Meier
Theoretical investigation of twin boundaries in WO3: Structure, properties, and implications for superconductivity
S. Cao, M. Yang, Q. You, L.-B. Shi, and P. Qian
Theoretical evaluation of intrinsic mobility for two-dimensional semiconductor of BC2N: First-principles calculation
Y. Luo, G. Zhao, and S. Wang
The electron–phonon scattering and carrier mobility in monolayer AsSb
H. Paudyal, S. Poncé, F. Giustino, and E. R. Margine
Superconducting properties of MoTe2 from ab initio anisotropic Migdal-Eliashberg theory
S. Poncé and F. Giustino
Structural, electronic, elastic, power, and transport properties of β−Ga2O3 from first principles
J.-Y. Yang, W. Zhang, C. Xu, J. Liu, L. Liu, and M. Hu
Strong electron-phonon coupling induced anomalous phonon transport in ultrahigh temperature ceramics ZrB2 and TiB2
M. Gao, X.-W. Yan, Z.-Y. Lu, and T. Xiang
Strong-coupling superconductivity in LiB2C2 trilayer films
X.-Q. Lu, P.-J. Guo, J.-F. Zhang, K. Liu, and Z.-Y. Lu
SrPd, a candidate material with extremely large magnetoresistance
X. Liang, A. Bergara, Y. Xie, L. Wang, R. Sun, Y. Gao, X.-F. Zhou, B. Xu, J. He, D. Yu, G. Gao, and Y. Tian
Prediction of superconductivity in pressure-induced new silicon boride phases
L.-B. Shi, M. Yang, S. Cao, Q. You, Y.-J. Zhang, M. Qi, K.-C. Zhang, and P. Qian
Prediction of high carrier mobility for a novel two-dimensional semiconductor of BC6N: first principles calculations
F. Caruso, D. Novko, and C. Draxl
Photoemission signatures of nonequilibrium carrier dynamics from first principles
G. Brunin, H. P. C. Miranda, M. Giantomassi, M. Royo, M. Stengel, M. J. Verstraete, X. Gonze, G.-M. Rignanese, and G. Hautier
Phonon-limited electron mobility in Si, GaAs, and GaP with exact treatment of dynamical quadrupoles
B. Song, K. Chen, K. Bushick, K. A. Mengle, F. Tian, G. A. G. U. Gamage, Z. Ren, E. Kioupakis, and G. Chen
Optical properties of cubic boron arsenide
C. Wang, S. Yi, and J.-H. Cho
Multiband nature of room-temperature superconductivity in LaH10 at high pressure
Y. Zhao, C. Lian, S. Zeng, Z. Dai, S. Meng, and J. Ni
MgB4 trilayer film: A four-gap superconductor
W. Li and F. Giustino
Many-body renormalization of the electron effective mass of InSe
Z. Torbatian, M. Alidoosti, D. Novko, and R. Asgari
Low-loss two-dimensional plasmon modes in antimonene
Y. Ge, W. Wan, Y. Ren, and Y. Liu
Large thermoelectric power factor of high-mobility transition-metal dichalcogenides with 1T′′ phase
M. Yang, S. Cao, Q. You, L.-B. Shi, and P. Qian
Intrinsic carrier mobility of monolayer GeS and GeSe: First-principles calculation
L. J. Evitts, S. C. Middleburgh, E. Kardoulaki, I. Ipatova, M. J. D. Rushton, W. E. Lee
Influence of boron isotope ratio on the thermal conductivity of uranium diboride (UB2) and zirconium diboride (ZrB2)
G. Sharma and K. C. Bhamu
Impressive Electronic Transport in Be2C Monolayer Limited by Phonon
J. Park, Y. Xia, A. M. Ganose, A. Jain, and V. Ozoliņš
High Thermoelectric Performance and Defect Energetics of Multipocketed Full Heusler Compounds
J. Ma, A. S. Nissimagoudar, S. Wang, and W. Li
High Thermoelectric Figure of Merit of Full‐Heusler Ba2AuX (X = As, Sb, and Bi)
Z. M. Wong, T. Deng, W. Shi, G. Wu, T. L. Tan, and S. Yang
High Performance Photocatalytic and Thermoelectric Two-Dimensional Asymmetrically Ordered Janus-like MXene Alloy
K.-C. Zhang, Y.-F. Li, Y. Liu, and Y. Zhu
First-principles study on the anisotropic transport of electrons and phonons in monolayer and bulk GaTe: A comparative study
W. Wang, Y. Kang, H. Peelaers, K. Krishnaswamy, and C. G. V. d. Walle
First-principles study of transport in WO3
J.-F. Zhang, P.-J. Guo, M. Gao, K. Liu, and Z.-Y. Lu
First-principles study of electron-phonon coupling and magnetoresistance of LaBi under pressure
B. Szpunar, J. I. Ranasinghe, L. Malakkal, and J. A. Szpunar
First principles investigation of thermal transport of uranium mononitride
X.-T. Jin, X.-W. Yan, and M. Gao
First-principles calculations of monolayer hexagonal boron nitride: Possibility of superconductivity
J. Ma, D. Xu, R. Hu, and X. Luo
Examining two-dimensional Fröhlich model and enhancing the electron mobility of monolayer InSe by dielectric engineering
R. Debnath, I. Maity, R. Biswas, V. Raghunathan, M. Jain, and A. Ghosh
Evolution of high-frequency Raman modes and their doping dependence in twisted bilayer MoS2
T. Deng, G. Wu, M. B. Sullivan, Z. M. Wong, K. Hippalgaonkar, J.-S. Wang, and S.-W. Yang
EPIC STAR: a reliable and efficient approach for phonon- and impurity-limited charge transport calculations
F. Zheng, X.-B. Li, P. Tan, Y. Lin, L. Xiong, X. Chen, and J. Feng
Emergent superconductivity in two-dimensional NiTe2 crystals
X. Bu and S. Wang
Electron–phonon scattering and mean free paths in D-carbon
X. Bu and S. Wang
Electron–phonon scattering and excitonic effects in T-carbon
A. N. Rudenko and S. Yuan
Electron-phonon interaction and zero-field charge carrier transport in the nodal-line semimetal ZrSiS
A. Giri, M. V. Tokina, O. V. Prezhdo, and P. E. Hopkins
Electron–phonon coupling and related transport properties of metals and intermetallic alloys from first principles
M. D. Santia, D. C. Look, and S. C. Badescu
Electron–phonon coupling and electron mobility in degenerately doped oxides from first-principles
G. Brunin, H. P. C. Miranda, M. Giantomassi, M. Royo, M. Stengel, M. J. Verstraete, X. Gonze, G.-M. Rignanese, and G. Hautier
Electron-Phonon beyond Fröhlich: Dynamical Quadrupoles in Polar and Covalent Solids
C. Xia, J. Cui, and Y. Chen
Effect of group-3 elements doping on promotion of in-plane Seebeck coefficient of n-type Mg3Sb2
Y. Ge, W. Wan, X. Guo, and Y. Liu
Direct and indirect optical absorptions of cubic BAs and BSb
J. I. Ranasinghe, L. Malakkal, E. Jossou, B. Szpunar, and J. A. Szpunar
Density functional theory study of the structural, mechanical and thermal conductivity of uranium dialuminide (UAl2)
B. Dongre, J. Carrete, S. Wen, J. Ma, W. Li, N. Mingo, and G. K. H. Madsen
Combined treatment of phonon scattering by electrons and point defects explains the thermal conductivity reduction in highly-doped Si
D. Novko
Broken adiabaticity induced by Lifshitz transition in MoS2 and WS2 single layers
V.-A. Ha, B. Karasulu, R. Maezono, G. Brunin, J. B. Varley, G.-M. Rignanese, B. Monserrat, and G. Hautier
Boron phosphide as a emph{p}-type transparent conductor: Optical absorption and transport through electron-phonon coupling
K. Bushick, S. Chae, Z. Deng, J. T. Heron, and E. Kioupakis
Boron arsenide heterostructures: lattice-matched heterointerfaces and strain effects on band alignments and mobility
A. S. Chaves, A. Antonelli, D. T. Larson, and E. Kaxiras
Boosting the efficiency of ab initio electron-phonon coupling calculations through dual interpolation
T. Deng, X. Yong, W. Shi, Z. M. Wong, G. Wu, H. Pan, J.-S. Wang, and S.-W. Yang
Beyond the Mahan–Sofo best thermoelectric strategy: high thermoelectric performance from directional π-conjugation in two-dimensional poly(tetrathienoanthracene)
N. Briggs, B. Bersch, Y. Wang, J. Jiang, R. J. Koch, N. Nayir, K. Wang, M. Kolmer, W. Ko, A. D. L. F. Duran, S. Subramanian, C. Dong, J. Shallenberger, M. Fu, Q. Zou, Y.-W. Chuang, Z. Gai, A.-P. Li, A. Bostwick, C. Jozwiak, C.-Z. Chang, E. Rotenberg, J. Zhu, A. C. T. v. Duin, V. Crespi, and J. A. Robinson
Atomically thin half-van der Waals metals enabled by confinement heteroepitaxy
S. Li, A. Wang, Y. Hu, X. Gu, Z. Tong, and H. Bao
Anomalous thermal transport in metallic transition-metal nitrides originated from strong electron-phonon interactions
H. Liu, C. Yang, B. Wei, L. Jin, A. Alatas, A. Said, S. Tongay, F. Yang, A. Javey, J. Hong, and J. Wu
Anomalously Suppressed Thermal Conduction by Electron‐Phonon Coupling in Charge‐Density‐Wave Tantalum Disulfide
A. Kundu, J. Ma, J. Carrete, G. K. H. Madsen, and W. Li
Anomalously large lattice thermal conductivity in metallic tungsten carbide and its origin in the electronic structure
F. Meng, S. Sun, J. Ma, C. Chronister, J. He, and W. Li
Anisotropic thermoelectric figure-of-merit in Mg3Sb2
K. Yuan, Z. Sun, X. Zhang, X. Gong, and D. Tang
A first-principles study of the thermoelectric properties of rhombohedral GeSe
J. Berges, E. G. C. P. v. Loon, A. Schobert, M. Rösner, and T. O. Wehling
Ab initio phonon self-energies and fluctuation diagnostics of phonon anomalies: Lattice instabilities from Dirac pseudospin physics in transition metal dichalcogenides
K. Bushick, K. A. Mengle, S. Chae, and E. Kioupakis
Electron and hole mobility of rutile GeO2 from first principles: An ultrawide-bandgap semiconductor for power electronics
D. Yadav, M. Trushin, and F. Pauly
Thermalization of photoexcited carriers in two-dimensional transition metal dichalcogenides and internal quantum efficiency of van der Waals heterostructures
Y. Ge and T. S. Fisher
Photoconductivity calculations of bilayer graphene from first principles and deformation-potential approach
H. Chandrasekar, J. N. Cheng, T. S. Wang, Z. B. Xia, N. G. Combs, C. R. Freeze, P. B. Marshall, J. McGlone, A. Arehart, S. Ringel, A. Janotti, S. Stemmer, W. Lu, and S. Rajan
Velocity saturation in La-doped BaSnO3 thin films
V. Askarpour and J. Maassen
Unusual thermoelectric transport anisotropy in quasi-two-dimensional rhombohedral GeTe
W. Shi, T. Deng, G. Wu, K. Hippalgaonkar, J.‐S. Wang, and S.‐W. Yang
Unprecedented Enhancement of Thermoelectric Power Factor Induced by Pressure in Small‐Molecule Organic Semiconductors
Y. Chen, J. Ma, and W. Li
Understanding the thermal conductivity and Lorenz number in tungsten from first principles
S. M. O’Mahony, F. Murphy-Armando, É. D. Murray, J. D. Querales-Flores, I. Savić, and S. Fahy
Ultrafast Relaxation of Symmetry-Breaking Photo-Induced Atomic Forces
Y. Zhao, C. Lian, S. Zeng, Z. Dai, S. Meng, and J. Ni
Two-gap and three-gap superconductivity in AlB2-based films
T. Deng, X. Yong, W. Shi, C. K. Gan, W. Li, K. Hippalgaonkar, J.‐C. Zheng, X. Wang, S.‐W. Yang, J.‐S. Wang, and G. Wu
2D Single‐Layer π‐Conjugated Nickel Bis(dithiolene) Complex: A Good‐Electron‐Poor‐Phonon Thermoelectric Material
A. Jena and W. Li
Transport phenomena in a free-standing two-dimensional sodium sheet
L. Aggarwal, C. Singh, M. Aslam, R. Singha, A. Pariari, S. Gayen, M. Kabir, P. Mandal, and G. Sheet
Tip-induced superconductivity coexisting with preserved topological properties in line-nodal semimetal ZrSiS
E. A. Moujaes and W. A. Diery
Thermoelectric properties of 1 T monolayer pristine and Janus Pd dichalcogenides
N. T. Hung, A. R. T. Nugraha, T. Yang, Z. Zhang, and R. Saito
Thermoelectric performance of monolayer InSe improved by convergence of multivalley bands
F. Caruso, M. Troppenz, S. Rigamonti, and C. Draxl
Thermally enhanced Fröhlich coupling in SnSe
C. Liu, J. Yang, J. Xi, and X. Ke
The origin of intrinsic charge transport for Dirac carbon sheet materials: roles of acetylenic linkage and electron–phonon couplings
L. Cheng, C. Zhang, and Y. Liu
The Optimal Electronic Structure for High-Mobility 2D Semiconductors: Exceptionally High Hole Mobility in 2D Antimony
S. Li, Z. Tong, and H. Bao
The lattice and electronic thermal conductivity of doped SnSe: a first-principles study
M. Xu, J. Yang, and L. Liu
Temperature-dependent optical and electrical properties of bulk Ti2AlC and two-dimensional MXenes from first-principles
G. Q. Huang and W. Xia
Superconductivity in ultrathin Pb/MoTe2 heterostructure
C. Heil, S. d. Cataldo, G. B. Bachelet, and L. Boeri
Superconductivity in sodalite-like yttrium hydride clathrates
A. P. Durajski, K. M. Skoczylas, and R. Szczȩśniak
Superconductivity in bilayer graphene intercalated with alkali and alkaline earth metals
S. S. Ghosh, Y. Quan, and W. E. Pickett
Strong particle-hole asymmetry in a 200 Kelvin superconductor
A. V. Lugovskoi, M. I. Katsnelson, and A. N. Rudenko
Strong Electron-Phonon Coupling and its Influence on the Transport and Optical Properties of Hole-Doped Single-Layer InSe
C.-S. Lian, C. Si, and W. Duan
Single anisotropic gap superconductivity and proximity effect in PbTaSe2
A. Jena and W. Li
Significant reduction of lattice thermal conductivity in suspended graphene by charge doping
S. Huang, Z. Wang, R. Xiong, H. Yu, and J. Shi
Significant enhancement in thermoelectric performance of Mg3Sb2 from bulk to two-dimensional mono layer
S. Poncé, D. Jena, and F. Giustino
Route to High Hole Mobility in GaN via Reversal of Crystal-Field Splitting
S. Li, Z. Tong, and H. Bao
Resolving different scattering effects on the thermal and electrical transport in doped SnSe
Y. Sun, Z. Shuai, and D. Wang
Reducing Lattice Thermal Conductivity of the Thermoelectric SnSe Monolayer: Role of Phonon–Electron Coupling
C. Wang, S. Yi, and J.-H. Cho
Pressure dependence of the superconducting transition temperature of compressed LaH10
W. H. Sio, C. Verdi, S. Poncé, and F. Giustino
Polarons from First Principles, without Supercells
D. Yadav, M. Trushin, and F. Pauly
Photocarrier thermalization bottleneck in graphene
F. Meng, J. Ma, J. He, and W. Li
Phonon-limited carrier mobility and temperature-dependent scattering mechanism of 3C-SiC from first principles
S. Poncé, M. Schlipf, and F. Giustino
Origin of Low Carrier Mobilities in Halide Perovskites
Y. Zhao, J.-J. Zhang, S. Yuan, and Z. Chen
Nonvolatile Electrical Control and Heterointerface‐Induced Half‐Metallicity of 2D Ferromagnets
S. Gopalan, G. Gaddemane, M. L. V. d. Put, and M. V. Fischetti
Monte Carlo Study of Electronic Transport in Monolayer InSe
Y. Xia, J. Park, V. Ozoliņš, and C. Wolverton
Leveraging electron-phonon interaction to enhance the thermoelectric power factor in graphene-like semimetals
S. P. Keshri and A. Medhi
Intrinsically high thermoelectric figure of merit of half-Heusler ZrRuTe
L. Cheng, C. Zhang, and Y. Liu
How to resolve a phonon-associated property into contributions of basic phonon modes
M. V. Fischetti, P. D. Yoder, M. M. Khatami, G. Gaddemane, and M. L. V. d. Put
“Hot electrons in Si lose energy mostly to optical phonons”: Truth or myth?
S. Poncé, D. Jena, and F. Giustino
Hole mobility of strained GaN from first principles
Y. Xia, J. Park, F. Zhou, and V. Ozoliņš
High Thermoelectric Power Factor in Intermetallic CoSi Arising from Energy Filtering of Electrons by Phonon Scattering
J. Park, Y. Xia, and V. Ozoliņš
High Thermoelectric Power Factor and Efficiency from a Highly Dispersive Band in Ba2BiAu
Z. Z. Zhou, H. J. Liu, D. D. Fan, G. H. Cao, and C. Y. Sheng
High thermoelectric performance in the hexagonal bilayer structure consisting of light boron and phosphorus elements
Z. Z. Zhou, D. D. Fan, H. J. Liu, and J. Liu
High figure-of-merit in the heavy-fermion UN2 system for radioisotope thermoelectric applications
A. Giri, J. T. Gaskins, L. Li, Y.-S. Wang, O. V. Prezhdo, and P. E. Hopkins
First-principles determination of the ultrahigh electrical and thermal conductivity in free-electron metals via pressure tuning the electron-phonon coupling factor
Z. Liu, M. Zhu, and Y. Zheng
First-principles calculations on the intrinsic resistivity of borophene: anisotropy and temperature dependence
Z. Liu, M. Zhu, and Y. Zheng
Fermi surface nesting and intrinsic resistivity of beryllium: First-principles calculations
J. Hall, N. Ehlen, J. Berges, E. v. Loon, C. v. Efferen, C. Murray, M. Rösner, J. Li, B. V. Senkovskiy, M. Hell, M. Rolf, T. Heider, M. C. Asensio, J. Avila, L. Plucinski, T. Wehling, A. Grüneis, and T. Michely
Environmental Control of Charge Density Wave Order in Monolayer 2H-TaS2
X. Zhang, M. Zhao, and F. Liu
Enhancing superconductivity in bulk β−Bi2Pd by negative pressure induced by quantum electronic stress
R. Guo, X. Bu, S. Wang, and G. Zhao
Enhanced electron–phonon scattering in Janus MoSSe
J. Fang, M. V. Fischetti, R. D. Schrimpf, R. A. Reed, E. Bellotti, and S. T. Pantelides
Electron Transport Properties of AlxGa1−xN/GaN Transistors Based on First-Principles Calculations and Boltzmann-Equation Monte Carlo Simulations
F. Guo, Z. Liu, M. Zhu, and Y. Zheng
Electron–phonon scattering limited hole mobility at room temperature in a MoS2 monolayer: first-principles calculations
A. V. Lugovskoi, M. I. Katsnelson, and A. N. Rudenko
Electron-phonon properties, structural stability, and superconductivity of doped antimonene
S. K. Mahatha, A. S. Ngankeu, N. F. Hinsche, I. Mertig, K. Guilloy, P. L. Matzen, M. Bianchi, C. E. Sanders, J. A. Miwa, H. Bana, E. Travaglia, P. Lacovig, L. Bignardi, D. Lizzit, R. Larciprete, A. Baraldi, S. Lizzit, and P. Hofmann
Electron–phonon coupling in single-layer MoS2
C.-C. Lei, M. Gao, and X.-W. Yan
Electron-phonon coupling in FeB4 reexamined by maximally localized Wannier functions
M. Gao, X.-W. Yan, J. Wang, Z.-Y. Lu, and T. Xiang
Electron-phonon coupling in a honeycomb borophene grown on Al(111) surface
F. Zheng and J. Feng
Electron-phonon coupling and the coexistence of superconductivity and charge-density wave in monolayer NbSe2
M. M. Khatami, G. Gaddemane, M. L. V. d. Put, M. V. Fischetti, M. K. Moravvej-Farshi, M. Pourfath, and W. G. Vandenberghe
Electronic Transport Properties of Silicane Determined from First Principles
T. A. Mellan, A. Aziz, Y. Xia, R. Grau-Crespo, and A. I. Duff
Electron and phonon interactions and transport in the ultrahigh-temperature ceramic ZrC
F. Guo, Z. Liu, M. Zhu, and Y. Zheng
Effects of uniaxial tensile strain on the electron–phonon scattering limited carrier mobility in an n-type monolayer MoS2 at room temperature: first-principles calculations
N. Tandon, L. R. Ram-Mohan, and J. D. Albrecht
Effect of hydrostatic pressure on the electron-phonon scattering in GaAs
Z. D. Gerbi and P. Singh
Effect of hydrostatic pressure on superconductivity of MgB2
Q. Xu, J. Zhou, T.-H. Liu, and G. Chen
Effect of electron-phonon interaction on lattice thermal conductivity of SiGe alloys
E. Osei‐Agyemang, C. E. Adu, and G. Balasubramanian
Doping and Anisotropy–Dependent Electronic Transport in Chalcogenide Perovskite CaZrSe3 for High Thermoelectric Efficiency
W. Li, S. Poncé, and F. Giustino
Dimensional crossover in the carrier mobility of two-dimensional semiconductors: The case of InSe
N. T. Hung, A. R. T. Nugraha, and R. Saito
Designing high-performance thermoelectrics in two-dimensional tetradymites
Z. Zhou, H. Liu, D. Fan, and G. Cao
Designing graphene/hexagonal boron nitride superlattice monolayer with high thermoelectric performance
J. He, Y. Xia, S. S. Naghavi, V. Ozoliņš, and C. Wolverton
Designing chemical analogs to PbTe with intrinsic high band degeneracy and low lattice thermal conductivity
S.-Y. Yue, R. Yang, and B. Liao
Controlling thermal conductivity of two-dimensional materials via externally induced phonon-electron interaction
V.-A. Ha, G. Yu, F. Ricci, D. Dahliah, M. J. v. Setten, M. Giantomassi, G.-M. Rignanese, and G. Hautier
Computationally driven high-throughput identification of CaTe and Li3Sb as promising candidates for high-mobility p-type transparent conducting materials
Y. Quan, S. S. Ghosh, and W. E. Pickett
Compressed hydrides as metallic hydrogen superconductors
Z. Tong, S. Li, X. Ruan, and H. Bao
Comprehensive first-principles analysis of phonon thermal conductivity and electron-phonon coupling in different metals
Y. Chen, J. Ma, S. Wen, and W. Li
Body-centered-cubic structure and weak anharmonic phonon scattering in tungsten
J.-F. Zhang, P.-J. Guo, M. Gao, K. Liu, and Z.-Y. Lu
β–RhPb2: A topological superconductor candidate
C. Kumarasinghe and N. Neophytou
Band alignment and scattering considerations for enhancing the thermoelectric power factor of complex materials: The case of Co-based half-Heusler alloys
J. Wang, X. Sui, S. Gao, W. Duan, F. Liu, and B. Huang
Anomalous Dirac Plasmons in 1D Topological Electrides
Y. Huang, J. Zhou, G. Wang, and Z. Sun
Abnormally Strong Electron–Phonon Scattering Induced Unprecedented Reduction in Lattice Thermal Conductivity of Two-Dimensional Nb2C
W. H. Sio, C. Verdi, S. Poncé, and F. Giustino
Ab initio theory of polarons: Formalism and applications
J. Liu, Y. Zhao, C. Lian, Z. Dai, J.-T. Sun, and S. Meng
Ab initio study on anisotropic thermoelectric transport in ternary pnictide KZnP
L. Cheng and Y. Liu
What Limits the Intrinsic Mobility of Electrons and Holes in Two Dimensional Metal Dichalcogenides?
J. Ying, H. Paudyal, C. Heil, X.-J. Chen, V. V. Struzhkin, and E. R. Margine
Unusual Pressure-Induced Periodic Lattice Distortion in SnSe2
F. Tian, B. Song, X. Chen, N. K. Ravichandran, Y. Lv, K. Chen, S. Sullivan, J. Kim, Y. Zhou, T.-H. Liu, M. Goni, Z. Ding, J. Sun, G. A. G. U. Gamage, H. Sun, H. Ziyaee, S. Huyan, L. Deng, J. Zhou, A. J. Schmidt, S. Chen, C.-W. Chu, P. Y. Huang, D. Broido, L. Shi, G. Chen, and Z. Ren
Unusual high thermal conductivity in boron arsenide bulk crystals,
J. Zhang, J. Zhang, L. Zhou, C. Cheng, C. Lian, J. Liu, S. Tretiak, J. Lischner, F. Giustino, and S. Meng
Universal Scaling of Intrinsic Resistivity in Two‐Dimensional Metallic Borophene
S. Poncé, E. R. Margine, and F. Giustino
Towards predictive many-body calculations of phonon-limited carrier mobilities in semiconductors
W. Xia, J. Zhang, and G.-Q. Huang
The superconducting properties of a Pb/MoTe2/Pb heterostructure: First-principles calculations within the anisotropic Migdal–Eliashberg theory
G. Gaddemane, W. G. Vandenberghe, M. L. V. d. Put, S. Chen, S. Tiwari, E. Chen, and M. V. Fischetti
Theoretical studies of electronic transport in monolayer and bilayer phosphorene: A critical overview
D. A. Pshenay-Severin, Y. V. Ivanov, and A. T. Burkov
The effect of energy-dependent electron scattering on thermoelectric transport in novel topological semimetal CoSi
M. Xu, J.-Y. Yang, and L. Liu
Temperature-dependent dielectric functions of bcc transition metals Cr, Mo, and W from ultraviolet to infrared regions: A theoretical and experimental study
J. Chen, Y. Ge, W. Zhou, M. Peng, J. Pan, and F. Ouyang
Superconductivity in Li-intercalated bilayer arsenene and hole-doped monolayer arsenene: a first-principles prediction
X. Kong, M. Gao, X.-W. Yan, Z.-Y. Lu, and T. Xiang
Superconductivity in electron-doped arsenene
J. I. Ranasinghe, E. Jossou, L. Malakkal, B. Szpunar, and J. A. Szpunar
Study on radial temperature distribution of aluminum dispersed nuclear fuels: U3O8-Al, U3Si2-Al, and UN-Al
R. Chen, J.-C. Ren, K. Rubi, R. Mahendiran, and J.-S. Wang
Strong electron–phonon interaction and colossal magnetoresistance in EuTiO3
Z. Xing, S. Saha, J. Paglione, and M. M. Qazilbash
Strong electron-boson coupling in the iron-based superconductor BaFe1.9Pt0.1As2 revealed by infrared spectroscopy
T.-H. Liu, B. Song, L. Meroueh, Z. Ding, Q. Song, J. Zhou, M. Li, and G. Chen
Simultaneously high electron and hole mobilities in cubic boron-V compounds: BP, BAs, and BSb
J.-J. Zhang, Y. Zhang, and S. Dong
Protective layer enhanced the stability and superconductivity of tailored antimonene bilayer
A. Kazempour and T. Morshedloo
Plasmon scattering in electron and hole doped diamond
J.-C. Ren and J.-S. Wang
Origin of unexpected large Seebeck effect in SrTiO3: nonperturbative polaron study from ab initio cumulant expansion
X. Wu, H. O. Jeschke, D. D. Sante, F. O. v. Rohr, R. J. Cava, and R. Thomale
Origin of the pressure-dependent Tc valley in superconducting simple cubic phosphorus
W. Shi, G. Wu, X. Yong, T. Deng, J.-S. Wang, J.-C. Zheng, J. Xu, M. B. Sullivan, and S.-W. Yang
Orbital-Engineering-Based Screening of π-Conjugated d8 Transition-Metal Coordination Polymers for High-Performance n-Type Thermoelectric Applications
X. Wang, V. Askarpour, J. Maassen, and M. Lundstrom
On the calculation of Lorenz numbers for complex thermoelectric materials
J. Yuan, Y. Cai, L. Shen, Y. Xiao, J.-C. Ren, A. Wang, Y. P. Feng, and X. Yan
One-dimensional thermoelectrics induced by Rashba spin-orbit coupling in two-dimensional BiSb monolayer
D. Novko
Nonadiabatic coupling effects in MgB2 reexamined
Y. Zhao, S. Zeng, C. Lian, Z. Dai, S. Meng, and J. Ni
Multigap anisotropic superconductivity in borophenes
F. Macheda and N. Bonini
Magnetotransport phenomena in p-doped diamond from first principles
J. Zhou, H. Zhu, T.-H. Liu, Q. Song, R. He, J. Mao, Z. Liu, W. Ren, B. Liao, D. J. Singh, Z. Ren, and G. Chen
Large thermoelectric power factor from crystal symmetry-protected non-bonding orbital in half-Heuslers
M. Aslam, C. K. Singh, S. Das, R. Kumar, S. Datta, S. Halder, S. Gayen, M. Kabir, and G. Sheet
Large enhancement of superconductivity in Zr point contacts
J. Ma, Y. Chen, and W. Li
Intrinsic phonon-limited charge carrier mobilities in thermoelectric SnSe
Y. Zhao, Z. Dai, C. Zhang, C. Lian, S. Zeng, G. Li, S. Meng, and J. Ni
Intrinsic electronic transport and thermoelectric power factor in n-type doped monolayer MoS2
Y. Tatsumi and R. Saito
Interplay of valley selection and helicity exchange of light in Raman scattering for graphene and MoS2
J. Chen, A. J. Millis, and D. R. Reichman
Intermolecular coupling and superconductivity in PbMo6S8 and other Chevrel phase compounds
K. Ghosh and U. Singisetti
Impact ionization in β−Ga2O3
Z. Zhou, H. Liu, D. Fan, G. Cao, and C. Sheng
High Thermoelectric Performance Originating from the Grooved Bands in the ZrSe3 Monolayer
S. Huang, H. J. Liu, D. D. Fan, P. H. Jiang, J. H. Liang, G. H. Cao, R. Z. Liang, and J. Shi
First-principles study of the thermoelectric properties of the Zintl compound KSnSb
T. Fan, C. Xie, S. Wang, A. R. Oganov, and L. Cheng
First-principles study of thermoelectric properties of Mg2Si–Mg2Pb semiconductor materials
Z. Liu, J. O. Morales-Ferreiro, and T. Luo
First-principles study of thermoelectric properties of blue phosphorene
J. Ma, A. S. Nissimagoudar, and W. Li
First-principles study of electron and hole mobilities of Si and GaAs
L. Adamska, S. Sadasivam, J. J. Foley, P. Darancet, and S. Sharifzadeh
First-Principles Investigation of Borophene as a Monolayer Transparent Conductor
C. Li, N. K. Ravichandran, L. Lindsay, and D. Broido
Fermi Surface Nesting and Phonon Frequency Gap Drive Anomalous Thermal Transport
C. Wolf and T.-W. Lee
Exciton and lattice dynamics in low-temperature processable CsPbBr3 thin-films
K. Chae, S.-H. Kang, S.-M. Choi, D. Y. Kim, and Y.-W. Son
Enhanced Thermoelectric Properties in a New Silicon Crystal Si24 with Intrinsic Nanoscale Porous Structure
F. Caruso, C. Verdi, S. Poncé, and F. Giustino
Electron-plasmon and electron-phonon satellites in the angle-resolved photoelectron spectra of n-doped anatase TiO2
N. Tandon, L. R. Ram-Mohan, and J. D. Albrecht
Electron–Phonon Scattering in AlAs and Its Response to Hydrostatic Pressure
N. B.-J. Kanga, S. Insad, and L. B. Drissi
Electron-phonon investigation in stanene
X. Zeng, S. Zhao, Z. Li, and J. Yang
Electron-phonon interaction in a Ca2N monolayer: Intrinsic mobility of electrene
S.-Y. Yue, L. Cheng, B. Liao, and M. Hu
Electron–phonon interaction and superconductivity in the high-pressure c/16 phase of lithium from first principles
X. Fan, G. Zhao, and S. Wang
Electron–phonon interaction and scattering in phosphorene
Q.-Z. Li, X.-W. Yan, M. Gao, and J. Wang
Electron-phonon coupling and superconductivity in LiB1+xC1−x
A. Vasylenko, S. Marks, J. M. Wynn, P. V. C. Medeiros, Q. M. Ramasse, A. J. Morris, J. Sloan, and D. Quigley
Electronic Structure Control of Sub-nanometer 1D SnTe via Nanostructuring within Single-Walled Carbon Nanotubes
S. Huang, X. Liu, W. Zheng, J. Guo, R. Xiong, Z. Wang, and J. Shi
Dramatically improving thermoelectric performance of topological half-Heusler compound LuPtSb via hydrostatic pressure
J. Cao, J. D. Querales-Flores, A. R. Murphy, S. Fahy, and I. Savić
Dominant electron-phonon scattering mechanisms in n-type PbTe from first principles
H.-L. Liu, T. Yang, Y. Tatsumi, Y. Zhang, B. Dong, H. Guo, Z. Zhang, Y. Kumamoto, M.-Y. Li, L.-J. Li, R. Saito, and S. Kawata
Deep-ultraviolet Raman scattering spectroscopy of monolayer WS2
J. M. Riley, F. Caruso, C. Verdi, L. B. Duffy, M. D. Watson, L. Bawden, K. Volckaert, G. v. d. Laan, T. Hesjedal, M. Hoesch, F. Giustino, and P. D. C. King
Crossover from lattice to plasmonic polarons of a spin-polarised electron gas in ferromagnetic EuO
N.-E. Lee, J.-J. Zhou, L. A. Agapito, and M. Bernardi
Charge transport in organic molecular semiconductors from first principles: The bandlike hole mobility in a naphthalene crystal
M. Schlipf, S. Poncé, and F. Giustino
Carrier Lifetimes and Polaronic Mass Enhancement in the Hybrid Halide Perovskite CH3NH3PbI3 from Multiphonon Fröhlich Coupling
K. Pal, J. He, and C. Wolverton
Bonding Hierarchy Gives Rise to High Thermoelectric Performance in Layered Zintl Compound BaAu2P4
C. W. Myung, J. Yun, G. Lee, and K. S. Kim
A new perspective on the role of A-site cations in perovskite solar cells
D. D. Fan, H. J. Liu, L. Cheng, J. H. Liang, and P. H. Jiang
A first-principles study of the effects of electron–phonon coupling on the thermoelectric properties: a case study of the SiGe compound
G. Samsonidze and B. Kozinsky
Accelerated screening of thermoelectric materials by first‐principles computations of electron–phonon scattering
C. Heil, G. B. Bachelet, and L. Boeri
Absence of superconductivity in iron polyhydrides at high pressures
V. A. Jhalani, J.-J. Zhou, and M. Bernardi
Ultrafast hot carrier dynamics in GaN and its impact on the efficiency droop
N. T. Hung, A. R. T. Nugraha, and R. Saito
Two-dimensional InSe as a potential thermoelectric material
P. H. Jiang, H. J. Liu, L. Cheng, D. D. Fan, J. Zhang, J. Wei, J. H. Liang, and J. Shi
Thermoelectric properties of γ-graphyne from first-principles calculations
L. Cheng, Q.-B. Yan, and M. Hu
The role of phonon–phonon and electron–phonon scattering in thermal transport in PdCoO2
E. Witkoske, X. Wang, M. Lundstrom, V. Askarpour, and J. Maassen
Thermoelectric band engineering: The role of carrier scattering
S. Sadasivam, M. K. Y. Chan, and P. Darancet
Theory of Thermal Relaxation of Electrons in Semiconductors
N. H. Shimada, E. Minamitani, and S. Watanabe
Theoretical prediction of phonon-mediated superconductivity with Tc≈25 K in Li-intercalated hexagonal boron nitride bilayer
D. N. Esfahani and R. Asgari
Superconducting critical temperature of hole doped blue phosphorene
T. Wang, Z. Gui, A. Janotti, C. Ni, and P. Karandikar
Strong effect of electron-phonon interaction on the lattice thermal conductivity in 3C-SiC
N. F. Hinsche, A. S. Ngankeu, K. Guilloy, S. K. Mahatha, A. Grubišić Čabo, M. Bianchi, M. Dendzik, C. E. Sanders, J. A. Miwa, H. Bana, E. Travaglia, P. Lacovig, L. Bignardi, R. Larciprete, A. Baraldi, S. Lizzit, K. S. Thygesen, and P. Hofmann
Spin-dependent electron-phonon coupling in the valence band of single-layer WS2
M. Xu, J.-Y. Yang, S. Zhang, and L. Liu
Role of electron-phonon coupling in finite-temperature dielectric functions of Au, Ag, and Cu
J.-H. Lee and Y.-W. Son
Reentrant Quantum Spin Hall States in Charge Density Wave Phase of Doped Single-Layer Transition Metal Dichalcogenides
M. Gao, Q.-Z. Li, X.-W. Yan, and J. Wang
Prediction of phonon-mediated superconductivity in borophene
W. H. Han, S. Kim, I.-H. Lee, and K. J. Chang
Prediction of green phosphorus with tunable direct band gap and high mobility
N. H. Protik, A. Katreb, L. Lindsay, J. Carrete, N. Mingo, and D. Broido
Phonon thermal transport in 2H, 4H and 6H silicon carbide from first principles
F. Rittweger, N. F. Hinsche, and I. Mertig
Phonon limited electronic transport in Pb
C. Verdi, F. Caruso, and F. Giustino
Origin of the crossover from polarons to Fermi liquids in transition metal oxides
C. Heil, S. Poncé, H. Lambert, M. Schlipf, E. R. Margine, and F. Giustino
Origin of Superconductivity and Latent Charge Density Wave in NbS2
F. Caruso, M. Hoesch, P. Achatz, J. Serrano, M. Krisch, E. Bustarret, and F. Giustino
Nonadiabatic Kohn anomaly in heavily boron-doped diamond
L. Waldecker, R. Bertoni, H. Hübener, T. Brumme, T. Vasileiadis, D. Zahn, A. Rubio, and R. Ernstorfer
Momentum-resolved view of electron-phonon coupling in multilayer WSe2
N. N. Degtyarenko, E. A. Mazur, and K. S. Grishakov
Metallic hydrogen with a strong electron-phonon interaction at a pressure of 300–500 GPa
Y. Zhao, Z. Dai, C. Lian, S. Zeng, G. Li, J. Ni, and Sheng Meng
Low lattice thermal conductivity and good thermoelectric performance of cinnabar
Y. Nakamura, T. Zhao, J. Xi, W. Shi, D. Wang, and Z. Shuai
Intrinsic charge transport in stanene: roles of bucklings and electron-phonon couplings
C. E. Mahr, M. Czerner, and C. Heiliger
Implementation of a method for calculating temperature-dependent resistivities in the KKR formalism
T. Zhao, Y. Sun, Z. Shuai, and D. Wang
GeAs2: A IV–V Group Two-Dimensional Semiconductor with Ultralow Thermal Conductivity and High Thermoelectric Efficiency
J. Liang, D. Fan, P. Jiang, H. Liu, and W. Zhao
First-principles study of the thermoelectric properties of intermetallic compound YbAl3
T.-H. Liu, J. Zhou, B. Liao, D. J. Singh, and G. Chen
First-principles mode-by-mode analysis for electron-phonon scattering channels and mean free path spectra in GaAs
B. Fu, G. Tang, and Y. Li
Electron-phonon scattering effect on the lattice thermal conductivity of silicon nanostructures
J.-J. Zheng and E. R. Margine
Electron-phonon coupling and pairing mechanism in β−Bi2Pd centrosymmetric superconductor
K. Ghosh and U. Singisetti
Electron mobility in monoclinic β-Ga2O3—Effect of plasmon-phonon coupling, anisotropy, and confinement
Y. Ma, D. Duan, Z. Shao, H. Yu, H. Liu, F. Tian, X. Huang, D. Li, B. Liu, and T. Cui
Divergent synthesis routes and superconductivity of ternary hydride MgSiH6 at high pressure
L. Chen, Z. Yan, and S. Kumar
Coupled electron-phonon transport and heat transfer pathways in graphene nanostructures
K. Ghosh and U. Singisetti
Ab initio velocity-field curves in monoclinic β-Ga2O3
Q. Song, T.-H. Liu, J. Zhou, Z. Ding, and G. Chen
Ab initio study of electron mean free paths and thermoelectric properties of lead telluride
S. Reichardt and L. Wirtz
Ab initio calculation of the G peak intensity of graphene: Laser-energy and Fermi-energy dependence and importance of quantum interference effects
M. Fiorentini and N. Bonini
Thermoelectric coefficients of n-doped silicon from first principles via the solution of the Boltzmann transport equation
F. Caruso and F. Giustino
Theory of electron-plasmon coupling in semiconductors
A. K. Vallabhaneni, D. Singh, H. Bao, J. Murthy, and X. Ruan
Reliability of Raman measurements of thermal conductivity of single-layer graphene due to selective electron-phonon coupling: A first-principles study
A. Kazempour and T. Morshedloo
Pressure dependency of electron-phonon renormalization in diamond
J.-J. Zhang and S. Dong
Prediction of above 20 K superconductivity of blue phosphorus bilayer with metal intercalations
J.-Y. Yang, G. Qin, and M. Hu
Nontrivial contribution of Fröhlich electron-phonon interaction to lattice thermal conductivity of wurtzite GaN
Y. Kamakura, R. Fujita, K. Konaga, Y. Ueoka, N. Mori, and T. Kotani
Full band Monte Carlo simulation of impact ionization in wide bandgap semiconductors based on ab initio calculation
J.-J. Zheng and E. R. Margine
First-principles calculations of the superconducting properties in Li-decorated monolayer graphene within the anisotropic Migdal-Eliashberg formalism
S. Poncé, E. R. Margine, C. Verdi, and F. Giustino
EPW: Electron–phonon coupling, transport and superconducting properties using maximally localized Wannier functions
E. R. Margine, H. Lambert, and F. Giustino
Electron-phonon interaction and pairing mechanism in superconducting Ca-intercalated bilayer graphene
A. D. Wright, C. Verdi, R. L. Milot, G. E. Eperon, M. A. Perez-Osorio, H. J. Snaith, F. Giustino, M. B. Johnston, and L. M. Herz
Electron–phonon coupling in hybrid lead halide perovskites
H. Oh, S. Coh, and M. L. Cohen
Comparative study of high-Tc superconductivity in H3S and H3P
J.-J. Zhou and M. Bernardi
Ab initio electron mobility and polar phonon scattering in GaAs
J. I. Mustafa, M. Bernardi, J. B. Neaton, and S. G. Louie
Ab initio electronic relaxation times and transport in noble metals
K. Ghosh and U. SIngisetti
Ab initio calculation of electron–phonon coupling in monoclinic β-Ga2O3 crystal
Y. Kamakura, T. Kotani, K. Konaga, N. Minamitani, G. Wakimura and N. Mori
Ab initio study of avalanche breakdown in diamond for power device applications
Y. Jiang, J. Xi, and Z.Shuai
Mechanism of charge transport in organic semiconductors and carbon nanomaterials
B. Liao, J. Zhou, B. Qiu, M. S. Dresselhaus, and G. Chen
Ab initio study of electron-phonon interaction in phosphorene
N. Tandon, J. D. Albrecht, and L. R. Ram-Mohan
Electron-phonon interaction and scattering in Si and Ge: Implications for phonon engineering
A. Kazempour
Polaronic correlation offsets in tetrahedral semiconductors
B. Qiu, Z. Tian, A. Vallabhaneni, B. Liao, J. M. Mendoza, O. D. Restrepo, X. Ruan, and G. Chen
First-principles simulation of electron mean-free-path spectra and thermoelectric properties in silicon
C. Verdi and F. Giustino
Fröhlich Electron-Phonon Vertex from First Principles
M. Bernardi, J. Mustafa, J. B. Neaton, and S. G. Louie
Theory and computation of hot carriers generated by surface plasmon polaritons in noble metals
J. Zhou, B. Liao, B. Qiu, S. Hubermana, K. Esfarjanib, M. S. Dresselhausd, and G. Chen
Ab initio optimization of phonon drag effect for lower-temperature thermoelectric energy conversion
B. Liao, B. Qiu, J. Zhou, S. Huberman, K. Esfarjani, and G. Chen
Significant Reduction of Lattice Thermal Conductivity by the Electron-Phonon Interaction in Silicon with High Carrier Concentrations: A First-Principles Study
M. Gao, Z.-Y. Lu, and T. Xiang
Prediction of phonon-mediated high-temperature superconductivity in Li3B4C2
X.-L. Zhang and W.-M. Liu
Electron-Phonon Coupling and its implication for the superconducting topological insulators
M. Bernardi, D. Vigil-Fowler, C. S. Ong, J. B. Neaton, and S. G. Louie
Ab initio study of hot electrons in GaAs
N Tandon, J. D. Albrecht, and L. R. Ram-Mohan
Electron-phonon coupling and associated scattering rates in diamond
J. Xi, D. Wang, Y. Yi, and Z. Shuai
Electron-phonon couplings and carrier mobility in graphynes sheet calculated using the Wannier-interpolation approach
E. R. Margine and F. Giustino
Two-gap superconductivity in heavily n-doped graphene: Ab initio Migdal-Eliashberg theory
M. Bernardi, D. Vigil-Fowler, J. Lischner, J. B. Neaton, and S. G. Louie
Ab Initio study of hot carriers in the first picosecond after sunlight absorption in silicon
C.-H. Park, N. Bonini, T. Sohier, G. Samsonidze, B. Kozinsky, M. Calandra, F. Mauri, and N. Marzari
Electron-phonon Interactions and the intrinsic electrical resistivity of graphene
T. Bazhirov, Y. Sakai, S. Saito, and M. L. Cohen
Electron-phonon coupling and superconductivity in Li-intercalated layered borocarbide compounds
E. R. Margine and F. Giustino
Anisotropic Migdal-Eliashberg theory using Wannier functions
K. T. Chan, B. D. Malone, and M. L. Cohen
Pressure dependence of superconductivity in simple cubic phosphorus
T. Bazhirov, S. Coh, S. G. Louie, and M. L. Cohen
Importance of oxygen octahedra tilts for the electron-phonon coupling in K-doped BaBiO3
J. Noffsinger, E. Kioupakis, C. G. Van de Walle, S. G. Louie, and M. L. Cohen
Phonon-assisted optical absorption in silicon from first principles
K. T. Chan, B. D. Malone, and M. L. Cohen
Electron-phonon coupling and superconductivity in arsenic under pressure
C.-H. Park, F. Giustino, C. D. Spataru, M. L. Cohen, and S. G. Louie
Inelastic carrier lifetime in bilayer graphene
N. Vukmirović, C. Bruder, and V. M. Stojanović
Electron-phonon coupling in crystalline organic semiconductors: microscopic evidence for nonpolaronic charge carriers
P. H. Tan, W. P. Han, W. J. Zhao, Z. H. Wu, K. Chang, H. Wang, Y. F. Wang, N. Bonini, N. Marzari, N. Pugno, G. Savini, A. Lombardo, and A. C. Ferrari
The shear mode of multilayer graphene
T. Bazhirov, J. Noffsinger, and Marvin L. Cohen
Electron-phonon coupling in bcc lithium
J. Noffsinger and M. L. Cohen
Superconductivity in monolayer Pb on Si(111) from first principles
F. Giustino, S. G. Louie, and M. L. Cohen
Electron-phonon renormalization of the direct band gap of diamond
T. Bazhirov, J. Noffsinger and M. L. Cohen
Superconductivity and electron-phonon coupling in lithium and high pressures
J. Noffsinger and M. L. Cohen
First-principles calculation of the electron-phonon coupling in ultrathin Pb superconductors: Suppression of the transition temperature by surface phonons
J. Noffsinger, F. Giustino, B. D. Malone, C.-H. Park, S. G. Louie, and M. L. Cohen
EPW: A program for calculating the electron-phonon coupling using maximally localized Wannier functions
C.-H. Park, F. Giustino, C. D. Spataru, M. L. Cohen, and S. G. Louie
Angle-resolved photoemission spectra of graphene from first-principles calculations
J. Noffsinger, F. Giustino, S. G. Louie, and M. L. Cohen
Origin of superconductivity in boron-doped silicon carbide from first principles
C.-H. Park, F. Giustino, C. D. Spataru, M. L. Cohen, and S. G. Louie
First-principles study of electron linewidths in graphene
C.-H. Park, F. Giustino, M. L. Cohen, and S. G. Louie
Electron-phonon interactions in graphene, bilayer graphene, and graphite
J. Noffsinger, F. Giustino, S. G. Louie, and M. L. Cohen
First-principles study of superconductivity and Fermi-surface nesting in ultrahard transition metal carbides
F. Giustino, M. L. Cohen, and S. G. Louie
Small phonon contribution to the photoemission kink in the copper oxide superconductors
C.-H. Park, F. Giustino, J. L. McChesney, A. Bostwick, T. Ohta, E. Rotenberg, M. L. Cohen, and S. G. Louie
Van Hove singularity and apparent anisotropy in the electron-phonon interaction in graphene
C.-H. Park, F. Giustino, M. L. Cohen, and S. G. Louie
Velocity renormalization and carrier lifetime in graphene from the electron-phonon interaction
F. Giustino, J. R. Yates, I. Souza, M. L. Cohen, and S. G. Louie
Electron-phonon interaction via electronic and lattice Wannier functions: superconductivity in boron-doped diamond reexamined