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 …

Resonant inelastic x-ray scattering studies of elementary excitations

LJP Ament, M Van Veenendaal, TP Devereaux… - Reviews of Modern …, 2011 - APS
In the past decade, resonant inelastic x-ray scattering (RIXS) has made remarkable progress
as a spectroscopic technique. This is a direct result of the availability of high-brilliance …

Deep-learning density functional perturbation theory

H Li, Z Tang, J Fu, WH Dong, N Zou, X Gong, W Duan… - Physical Review Letters, 2024 - APS
Calculating perturbation response properties of materials from first principles provides a vital
link between theory and experiment, but is bottlenecked by the high computational cost …

Pressure-induced metallization of dense (H2S)2H2 with high-Tc superconductivity

D Duan, Y Liu, F Tian, D Li, X Huang, Z Zhao, H Yu… - Scientific reports, 2014 - nature.com
The high pressure structures, metallization and superconductivity of recently synthesized H2-
containing compounds (H2S) 2H2 are elucidated by ab initio calculations. The ordered …

The metallization and superconductivity of dense hydrogen sulfide

Y Li, J Hao, H Liu, Y Li, Y Ma - The Journal of chemical physics, 2014 - pubs.aip.org
Hydrogen sulfide (H 2 S) is a prototype molecular system and a sister molecule of water (H 2
O). The phase diagram of solid H 2 S at high pressures remains largely unexplored arising …

High-pressure hydrogen sulfide from first principles: a strongly anharmonic phonon-mediated superconductor

I Errea, M Calandra, CJ Pickard, J Nelson, RJ Needs… - Physical review …, 2015 - APS
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 boson-exchange superconductors

JP Carbotte - Reviews of Modern Physics, 1990 - APS
The author reviews some of the important successes achieved by Eliashberg theory in
describing the observed superconducting properties of many conventional superconductors …

Theory of thermal relaxation of electrons in metals

PB Allen - Physical review letters, 1987 - APS
If electrons in a metal are heated to a temperature T e greater than the lattice temperature
TL, the electron-phonon interaction causes temperature relaxation dT e/dt= γ T (T LT e) …

Record high 36 K transition temperature to the superconducting state of elemental scandium at a pressure of 260 GPa

J Ying, S Liu, Q Lu, X Wen, Z Gui, Y Zhang, X Wang… - Physical Review Letters, 2023 - APS
Elemental materials provide clean and fundamental platforms for studying superconductivity.
However, the highest superconducting critical temperature (T c) yet observed in elements …

Electron-phonon interaction using Wannier functions

F Giustino, ML Cohen, SG Louie - Physical Review B—Condensed Matter and …, 2007 - APS
We introduce a technique based on the spatial localization of electron and phonon Wannier
functions to perform first-principles calculations of the electron-phonon interaction with an …