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 …

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 …

[图书][B] Density functional theory

E Engel - 2011 - Springer
This book emerged from a course on density functional theory (DFT), first given at the
University of Munich more than a decade ago. The course was based on the classic texts by …

Ab initio Eliashberg theory: making genuine predictions of superconducting features

A Sanna, JA Flores-Livas, A Davydov… - Journal of the Physical …, 2018 - journals.jps.jp
We present an application of Eliashberg theory of superconductivity to study a set of novel
superconducting systems with a wide range of structural and chemical properties. The set …

Combining Eliashberg theory with density functional theory for the accurate prediction of superconducting transition temperatures and gap functions

A Sanna, C Pellegrini, EKU Gross - Physical Review Letters, 2020 - APS
We propose a practical alternative to Eliashberg equations for the ab initio calculation of
superconducting transition temperatures and gap functions. Within the recent density …

Anisotropic gap of superconducting : A first-principles density functional calculation

A Sanna, G Profeta, A Floris, A Marini, EKU Gross… - Physical Review B …, 2007 - APS
We report first-principles calculations of the superconducting properties of CaC 6, obtained
within the density functional theory of superconductivity. We find a moderately anisotropic …

Two-band superconductivity in Pb from ab initio calculations

A Floris, A Sanna, S Massidda, EKU Gross - Physical Review B—Condensed …, 2007 - APS
We perform first-principles calculations of the band and k-point resolved superconducting
gap of Pb in the framework of the density functional theory for superconductors. Without any …

Superconducting pairing mediated by spin fluctuations from first principles

F Essenberger, A Sanna, A Linscheid, F Tandetzky… - Physical Review B, 2014 - APS
We present the derivation of an ab initio and parameter-free effective electron-electron
interaction that goes beyond the screened random phase approximation and accounts for …

First-Principles Characterization of Potassium Intercalation in Hexagonal 2H-MoS2

A Andersen, SM Kathmann, MA Lilga… - The Journal of …, 2012 - ACS Publications
Periodic density functional theory calculations were performed to study the structural and
electronic properties of potassium intercalated into hexagonal MoS2 (2H-MoS2). Metallic …

Superconducting materials: Judge and jury of BCS-electron–phonon theory

JE Hirsch - Applied Physics Letters, 2022 - pubs.aip.org
By a recent count, there are 32 different classes of superconducting materials [Physica C:
Special Issue,“Superconducting materials: conventional, unconventional and undetermined …