Phase Transition and Elasticity of Gallium Arsenide under Pressure

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GÜLER E., GÜLER M.

MATERIALS RESEARCH-IBERO-AMERICAN JOURNAL OF MATERIALS, cilt.17, sa.5, ss.1268-1272, 2014 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 17 Sayı: 5
  • Basım Tarihi: 2014
  • Doi Numarası: 10.1590/1516-1439.272414
  • Dergi Adı: MATERIALS RESEARCH-IBERO-AMERICAN JOURNAL OF MATERIALS
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.1268-1272
  • Anahtar Kelimeler: GaAs, elasticity, elastic constants, pressure, phase transition, THERMODYNAMIC PROPERTIES, MECHANICAL-PROPERTIES, OPTICAL-PROPERTIES, 1ST-PRINCIPLES, STABILITY, PROGRAM, INITIO, GULP, GAAS, BAS
  • Ankara Hacı Bayram Veli Üniversitesi Adresli: Hayır

Özet

Geometry optimization calculations were performed for some structural, elastic and mechanical properties of gallium arsenide (GaAs) under pressures up to 25 GPa. In contrast to previous works, a recent Stillinger-Weber type potential was used for the first time to elaborate the pressure dependence aspects of GaAs. B3 -> B1 phase transition pressure was determined as 17 GPa. Pressure dependence of density, typical cubic elastic constants, bulk, shear, and Young moduli, Poisson ratio, elastic velocities, anisotropy parameter, Kleinman parameter, elastic anisotropy degree, and stability conditions of GaAs were also evaluated. Overall, our results are satisfactory and can be helpful for future investigations of GaAs under pressure.