Pressure effects on the phonon modes in beryllium chalcogenides

Z. Mameri, A. Zaoui*, Abderrezak Belabbes, M. Ferhat

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

15 Scopus citations

Abstract

We report first-principles calculations of the structural, lattice-dynamical and dielectric properties for zinc-blend beryllium chalcogenides: BeS, BeSe, and BeTe. The ground state properties, such as the lattice structure and bulk modulus, are calculated using a plane wave pseudopotential method within the density functional theory. A linear response approach is employed in order to derive the high-frequency dielectric constants, Born effective charges and phonon frequencies. Furthermore, the pressure dependence of phonon modes is also detailed.

Original languageEnglish (US)
Pages (from-to)343-346
Number of pages4
JournalMaterials Chemistry and Physics
Volume123
Issue number1
DOIs
StatePublished - Sep 1 2010

Keywords

  • Ab initio
  • BeX
  • Phonons

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

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