skip to main content
Idioma:

Piezoelectric Electron-Phonon Interaction from Ab Initio Dynamical Quadrupoles: Impact on Charge Transport in Wurtzite GaN

Jhalani, Vatsal A. ; Zhou, Jin-Jian ; Park, Jinsoo ; Dreyer, Cyrus E. ; Bernardi, Marco

Physical review letters, 2020-09, Vol.125 (13), p.1-136602, Article 136602 [Periódico revisado por pares]

College Park: American Physical Society

Texto completo disponível

Citações Citado por
  • Título:
    Piezoelectric Electron-Phonon Interaction from Ab Initio Dynamical Quadrupoles: Impact on Charge Transport in Wurtzite GaN
  • Autor: Jhalani, Vatsal A. ; Zhou, Jin-Jian ; Park, Jinsoo ; Dreyer, Cyrus E. ; Bernardi, Marco
  • Assuntos: Acoustics ; Carrier mobility ; Charge materials ; Charge transport ; CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY ; Coupling ; Electron phonon interactions ; Electronic structure ; First principles ; Interpolation ; Mathematical analysis ; Phonons ; Physics ; Piezoelectricity ; Quadrupoles ; Scattering ; Wurtzite
  • É parte de: Physical review letters, 2020-09, Vol.125 (13), p.1-136602, Article 136602
  • Notas: ObjectType-Article-1
    SourceType-Scholarly Journals-1
    ObjectType-Feature-2
    content type line 23
    Korea Foundation for Advanced Studies
    USDOE Office of Science (SC)
    National Science Foundation (NSF)
    SC0004993; AC02-05CH11231; DMR-1750613; ACI-1642443; DMR-1918455
  • Descrição: First-principles calculations of e− ph interactions are becoming a pillar of electronic structure theory. However, the current approach is incomplete. The piezoelectric (PE) e− ph interaction, a long-range scattering mechanism due to acoustic phonons in noncentrosymmetric polar materials, is not accurately described at present. Current calculations include short-range e− ph interactions (obtained by interpolation) and the dipolelike Frölich long-range coupling in polar materials, but lack important quadrupole effects for acoustic modes and PE materials. Here we derive and compute the long-range e− ph interaction due to dynamical quadrupoles, and apply this framework to investigate e− ph interactions and the carrier mobility in the PE material wurtzite GaN. We show that the quadrupole contribution is essential to obtain accurate e− ph matrix elements for acoustic modes and to compute PE scattering. Our work resolves the outstanding problem of correctly computing e− ph interactions for acoustic modes from first principles, and enables studies of e− ph coupling and charge transport in PE materials.
  • Editor: College Park: American Physical Society
  • Idioma: Inglês
Links
Voltar para lista de resultados

  • Realização: ABCD-USP USP   Logos de Redes Sociais: Freepik

Buscando em bases de dados remotas. Favor aguardar.