Electron-phonon interactions using the projector augmented-wave method and Wannier functions

Manuel Engel; Martijn Marsman; Cesare Franchini; Georg Kresse

doi:10.1103/PhysRevB.101.184302

Electron-phonon interactions using the projector augmented-wave method and Wannier functions

Manuel Engel (Corresponding author)
, Martijn Marsman
, Cesare Franchini
, Georg Kresse

Computational Materials Physics

Publications: Contribution to journal › Article › Peer Reviewed

Original language	English
Article number	184302
Number of pages	15
Journal	Physical Review B
Volume	101
Issue number	18
DOIs	https://doi.org/10.1103/PhysRevB.101.184302
Publication status	Published - 1 May 2020

Funding

We gratefully acknowledge financial support provided by the Austrian Science Fund (FWF) No. I2460-N36.

Austrian Fields of Science 2012

103018 Materials physics

Keywords

INITIO MOLECULAR-DYNAMICS
TOTAL-ENERGY CALCULATIONS
TEMPERATURE-DEPENDENCE
THERMAL-EXPANSION
DIRECT-GAP
SILICON
SEMICONDUCTORS
CONVERGENCE
PERFORMANCE
CONSTANTS

Access to Document

10.1103/PhysRevB.101.184302

https://arxiv.org/abs/2001.08666

Cite this

@article{6c2de32c14724a8fa96f9724dc1b31c9,

title = "Electron-phonon interactions using the projector augmented-wave method and Wannier functions",

keywords = "INITIO MOLECULAR-DYNAMICS, TOTAL-ENERGY CALCULATIONS, TEMPERATURE-DEPENDENCE, THERMAL-EXPANSION, DIRECT-GAP, SILICON, SEMICONDUCTORS, CONVERGENCE, PERFORMANCE, CONSTANTS",

author = "Manuel Engel and Martijn Marsman and Cesare Franchini and Georg Kresse",

note = "Publisher Copyright: {\textcopyright} 2020 American Physical Society.",

year = "2020",

month = may,

day = "1",

doi = "10.1103/PhysRevB.101.184302",

language = "English",

volume = "101",

journal = "Physical Review B",

issn = "2469-9950",

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T1 - Electron-phonon interactions using the projector augmented-wave method and Wannier functions

AU - Engel, Manuel

AU - Marsman, Martijn

AU - Franchini, Cesare

AU - Kresse, Georg

PY - 2020/5/1

Y1 - 2020/5/1

KW - INITIO MOLECULAR-DYNAMICS

KW - TOTAL-ENERGY CALCULATIONS

KW - TEMPERATURE-DEPENDENCE

KW - THERMAL-EXPANSION

KW - DIRECT-GAP

KW - SILICON

KW - SEMICONDUCTORS

KW - CONVERGENCE

KW - PERFORMANCE

KW - CONSTANTS

UR - https://www.scopus.com/pages/publications/85085662178

U2 - 10.1103/PhysRevB.101.184302

DO - 10.1103/PhysRevB.101.184302

M3 - Article

SN - 2469-9950

VL - 101

JO - Physical Review B

JF - Physical Review B

IS - 18

M1 - 184302

ER -

Electron-phonon interactions using the projector augmented-wave method and Wannier functions

Funding

Austrian Fields of Science 2012

Keywords

Access to Document

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POLOX: Polarons in oxides: a model hamiltonian and ab initio study

Cite this

Electron-phonon interactions using the projector augmented-wave method and Wannier functions

Funding

Austrian Fields of Science 2012

Keywords

Access to Document

Other files and links

Fingerprint

Projects

POLOX: Polarons in oxides: a model hamiltonian and ab initio study

Cite this