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 …
Maximally localized Wannier functions: Theory and applications
The electronic ground state of a periodic system is usually described in terms of extended
Bloch orbitals, but an alternative representation in terms of localized “Wannier functions” …
Bloch orbitals, but an alternative representation in terms of localized “Wannier functions” …
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 …
High-pressure hydrogen sulfide from first principles: a strongly anharmonic phonon-mediated superconductor
We use first-principles calculations to study structural, vibrational, and superconducting
properties of H 2 S at pressures P≥ 200 GPa. The inclusion of zero-point energy leads to …
properties of H 2 S at pressures P≥ 200 GPa. The inclusion of zero-point energy leads to …
Perturbo: A software package for ab initio electron–phonon interactions, charge transport and ultrafast dynamics
Perturbo is a software package for first-principles calculations of charge transport and
ultrafast carrier dynamics in materials. The current version focuses on electron–phonon …
ultrafast carrier dynamics in materials. The current version focuses on electron–phonon …
Ab initio methods for superconductivity
C Pellegrini, A Sanna - Nature Reviews Physics, 2024 - nature.com
Modern ab initio theories of superconductivity allow characterizing and predicting phonon-
mediated superconductors. In this Technical Review, we analyse Eliashberg theory, density …
mediated superconductors. In this Technical Review, we analyse Eliashberg theory, density …
Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system
The quantum nature of the proton can crucially affect the structural and physical properties of
hydrogen compounds. For example, in the high-pressure phases, of H2O, quantum proton …
hydrogen compounds. For example, in the high-pressure phases, of H2O, quantum proton …
Prediction of phonon-mediated superconductivity in borophene
M Gao, QZ Li, XW Yan, J Wang - Physical Review B, 2017 - APS
Superconductivity in two-dimensional compounds is widely studied, not only because of its
application in constructing nano-superconducting devices, but also for general scientific …
application in constructing nano-superconducting devices, but also for general scientific …
Anisotropic migdal-eliashberg theory using wannier functions
We combine the fully anisotropic Migdal-Eliashberg theory with electron-phonon
interpolation based on maximally localized Wannier functions, in order to perform reliable …
interpolation based on maximally localized Wannier functions, in order to perform reliable …
Mobility of two-dimensional materials from first principles in an accurate and automated framework
We present a first-principles approach to compute the transport properties of 2D materials in
an accurate and automated framework. We use density-functional perturbation theory in the …
an accurate and automated framework. We use density-functional perturbation theory in the …