Repository logo

Infoscience

  • English
  • French
Log In
Logo EPFL, École polytechnique fédérale de Lausanne

Infoscience

  • English
  • French
Log In
  1. Home
  2. Academic and Research Output
  3. Journal articles
  4. Phonon Self-Energy Corrections: To Screen, or Not to Screen
 
research article

Phonon Self-Energy Corrections: To Screen, or Not to Screen

Berges, Jan
•
Girotto, Nina
•
Wehling, Tim
Show more
October 17, 2023
Physical Review X

First-principles calculations of phonons are often based on the adiabatic approximation and on Brillouinzone samplings that might not always be sufficient to capture the subtleties of Kohn anomalies. These shortcomings can be addressed through corrections to the phonon self-energy arising from the low-energy electrons. The exact self-energy involves a product of a bare and a screened electron-phonon vertex which have been proposed as a reliable approximation for self-energy differences [Phys. Rev. B 82, 165111 (2010)]. We assess the accuracy of both approaches in estimating the phonon spectral functions of model Hamiltonians and the adiabatic low-temperature phonon dispersions of monolayer TaS2 and doped MoS2. We find that the approximate method yields excellent corrections at low computational cost, due to its designed error cancellation to first order, while using a bare vertex could in principle improve these results but is challenging in practice. We offer an alternative strategy based on downfolding to partially screened phonons and interactions [Phys. Rev. B 92, 245108 (2015)]. This is a natural scheme to include electronelectron interactions and tackle phonons in strongly correlated materials and the frequency dependence of the electron-phonon vertex.

  • Details
  • Metrics
Type
research article
DOI
10.1103/PhysRevX.13.041009
Web of Science ID

WOS:001087395900001

Author(s)
Berges, Jan
Girotto, Nina
Wehling, Tim
Marzari, Nicola  
Ponce, Samuel
Date Issued

2023-10-17

Publisher

Amer Physical Soc

Published in
Physical Review X
Volume

13

Issue

4

Article Number

041009

Subjects

Physical Sciences

•

Electron-Gas

•

Approximation

•

Superconductivity

•

Transition

•

Spectrum

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
THEOS  
FunderGrant Number

Deutsche Forschungsgemeinschaft (DFG) under Germany's Excellence Strategy

EXC 2077

Croatian Science Foundation

UIP-2019-04-6869

DFG through QUAST

FOR 5249

Show more
Available on Infoscience
February 19, 2024
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/204050
Logo EPFL, École polytechnique fédérale de Lausanne
  • Contact
  • infoscience@epfl.ch

  • Follow us on Facebook
  • Follow us on Instagram
  • Follow us on LinkedIn
  • Follow us on X
  • Follow us on Youtube
AccessibilityLegal noticePrivacy policyCookie settingsEnd User AgreementGet helpFeedback

Infoscience is a service managed and provided by the Library and IT Services of EPFL. © EPFL, tous droits réservés