Transition pathway in GaAs under uniaxial stress: an ab initio study


Durandurdu M.

JOURNAL OF PHYSICS-CONDENSED MATTER, vol.18, no.20, pp.4887-4894, 2006 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 18 Issue: 20
  • Publication Date: 2006
  • Doi Number: 10.1088/0953-8984/18/20/013
  • Title of Journal : JOURNAL OF PHYSICS-CONDENSED MATTER
  • Page Numbers: pp.4887-4894

Abstract

We study the behaviour of GaAs under a uniaxial compression using an ab initio constant-pressure technique and find that GaAs undergoes a first-order phase transition to a side-disordered orthorhombic Imm2 structure via an intermediate state having the space group of I (4) over bar m2. The transition pathway and mechanism under uniaxial stress are found to be considerably different from those under the hydrostatic compression.