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Electron-phonon interactions from first principles
F Giustino - Reviews of Modern Physics, 2017 - APS
This article reviews the theory of electron-phonon interactions in solids from the point of view
of ab initio calculations. While the electron-phonon interaction has been studied for almost a …
of ab initio calculations. While the electron-phonon interaction has been studied for almost a …
First-principles calculations of charge carrier mobility and conductivity in bulk semiconductors and two-dimensional materials
One of the fundamental properties of semiconductors is their ability to support highly tunable
electric currents in the presence of electric fields or carrier concentration gradients. These …
electric currents in the presence of electric fields or carrier concentration gradients. These …
Electron–phonon physics from first principles using the EPW code
EPW is an open-source software for ab initio calculations of electron–phonon interactions
and related materials properties. The code combines density functional perturbation theory …
and related materials properties. The code combines density functional perturbation theory …
EPW: Electron–phonon coupling, transport and superconducting properties using maximally localized Wannier functions
Abstract The EPW (Electron-Phonon coupling using Wannier functions) software is a
Fortran90 code that uses density-functional perturbation theory and maximally localized …
Fortran90 code that uses density-functional perturbation theory and maximally localized …
Phonons and related crystal properties from density-functional perturbation theory
This article reviews the current status of lattice-dynamical calculations in crystals, using
density-functional perturbation theory, with emphasis on the plane-wave pseudopotential …
density-functional perturbation theory, with emphasis on the plane-wave pseudopotential …
Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory
X Gonze, C Lee - Physical Review B, 1997 - APS
Starting from the knowledge of first-order changes of wave functions and density with
respect to small atomic displacements or infinitesimal homogeneous electric fields within the …
respect to small atomic displacements or infinitesimal homogeneous electric fields within the …
Electronic structure calculations with dynamical mean-field theory
A review of the basic ideas and techniques of the spectral density-functional theory is
presented. This method is currently used for electronic structure calculations of strongly …
presented. This method is currently used for electronic structure calculations of strongly …
First-principles responses of solids to atomic displacements and homogeneous electric fields: Implementation of a conjugate-gradient algorithm
X Gonze - Physical Review B, 1997 - APS
The changes in density, wave functions, and self-consistent potentials of solids, in response
to small atomic displacements or infinitesimal homogeneous electric fields, are considered …
to small atomic displacements or infinitesimal homogeneous electric fields, are considered …
Adiabatic density-functional perturbation theory
X Gonze - Physical Review A, 1995 - APS
The treatment of adiabatic perturbations within density-functional theory is examined, at
arbitrary order of the perturbation expansion. Due to the extremal property of the energy …
arbitrary order of the perturbation expansion. Due to the extremal property of the energy …
Electron-phonon interactions and related physical properties of metals from linear-response theory
SY Savrasov, DY Savrasov - Physical Review B, 1996 - APS
Spectral distribution functions of electron-phonon interaction α 2 F (ω) obtained by ab initio
linear-response calculations are used to describe various superconducting and transport …
linear-response calculations are used to describe various superconducting and transport …