Electronic band calculations for zinc-blende BN with nonlocal density functionals

K. Kikuchi, T. Uda, A. Sakuma, M. Hirao, Y. Murayama

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

We have examined the ground-state and bands properties of zinc-blende BN using a pseudopotential approach with the nonlocal exchange potential proposed by Perdew and Wang (PW). We find that the PW potential improves the cohesive energy and the band gap compared with local density (LD) approximation.

Original languageEnglish
Pages (from-to)653-657
Number of pages5
JournalSolid State Communications
Volume81
Issue number8
DOIs
Publication statusPublished - 1992 Feb
Externally publishedYes

ASJC Scopus subject areas

  • Chemistry(all)
  • Condensed Matter Physics
  • Materials Chemistry

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