Band structure calculations of Ga1 - xAlxAs, GaAs1 - xPx and AlAs under pressure

H. Aourag, M. Ferhat, B. Bouhafs, N. Bouarissa, A. Zaoui, N. Amrane, B. Khelifa

Research output: Contribution to journalArticlepeer-review

10 Citations (Scopus)


The band structure of Ga1 - xAlxAs and GaAs1 - xPx cation and anion alloys respectively are calculated within the virtual crystal approximation using an adjusted empirical pseudopotential scheme, which incorporates compositional disorder as an effective potential. It is shown that the present theory, which is free from any additional parameter, satisfactorily produces the band-gap bowings. The effect of alloying was correlated to the effect of positive and negative pressure in AlAs. We have also calculated the variation of the ionicity of these alloys under pressure, the results are linked to the high pressure phase transitions.

Original languageEnglish
Pages (from-to)393-401
Number of pages9
JournalComputational Materials Science
Issue number3
Publication statusPublished - Jan 1995
Externally publishedYes

ASJC Scopus subject areas

  • General Computer Science
  • General Chemistry
  • General Materials Science
  • Mechanics of Materials
  • General Physics and Astronomy
  • Computational Mathematics


Dive into the research topics of 'Band structure calculations of Ga1 - xAlxAs, GaAs1 - xPx and AlAs under pressure'. Together they form a unique fingerprint.

Cite this