Structural and electronic properties of bulk BeS

N. Benosman, N. Amrane, S. Méçabih, H. Aourag

Research output: Contribution to journalArticlepeer-review

35 Citations (Scopus)

Abstract

The work employs the all-electron full-potential linear augmented-plane wave method within the local-spin density approximation to determine the full set of first-order elastic constants of BeS, which have not been established experimentally. We obtain C11 = 1.87, C12 = 0.75, and C44 = 0.82 Mbar. We also calculate the bulk modulus, the cohesive energy, and we present a study of the electronic band structure, the density of states, the charge density and the pressure dependence of the main band gaps of this compound. The results obtained are compared with other calculations and good agreement is found.

Original languageEnglish
Pages (from-to)214-220
Number of pages7
JournalPhysica B: Condensed Matter
Volume304
Issue number1-4
DOIs
Publication statusPublished - Sep 2001
Externally publishedYes

Keywords

  • Charge density
  • Elastic constants
  • Electronic properties
  • FPLAPW
  • Pressure coefficients
  • Structural properties

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Electrical and Electronic Engineering

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