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

Durandurdu M.

JOURNAL OF PHYSICS-CONDENSED MATTER, cilt.18, sa.20, ss.4887-4894, 2006 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 18 Sayı: 20
  • Basım Tarihi: 2006
  • Doi Numarası: 10.1088/0953-8984/18/20/013
  • Dergi Adı: JOURNAL OF PHYSICS-CONDENSED MATTER
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.4887-4894
  • Abdullah Gül Üniversitesi Adresli: Hayır

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.