Lattice dynamics study of bismuth III-V compounds

A. Belabbes*, A. Zaoui, M. Ferhat

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

31 Scopus citations

Abstract

We present first-principles calculations of the structural and lattice-dynamical properties for cubic bismuth III-V compounds: BBi, AlBi and GaBi. The ground-state properties, i.e., the lattice constant and the bulk modulus, are calculated using a plane wave pseudopotential method within density functional theory. A linear-response approach to density functional theory is used to derive the phonon frequencies. The effect of pressure on the dynamical charges and the longitudinal optical-transverse optical splitting is also examined.

Original languageEnglish (US)
Article number415221
JournalJournal of Physics Condensed Matter
Volume20
Issue number41
DOIs
StatePublished - Oct 15 2008
Externally publishedYes

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

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