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


Durandurdu M.

JOURNAL OF PHYSICS-CONDENSED MATTER, cilt.18, ss.4887-4894, 2006 (SCI İndekslerine Giren Dergi)

  • Cilt numarası: 18 Konu: 20
  • Basım Tarihi: 2006
  • Doi Numarası: 10.1088/0953-8984/18/20/013
  • Dergi Adı: JOURNAL OF PHYSICS-CONDENSED MATTER
  • Sayfa Sayısı: ss.4887-4894

Özet

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.