High-pressure bct-fcc phase transition in Ga

Takemura Kenichi, Kobayashi Kazuaki, and Arai Masao
Phys. Rev. B 58, 2482 – Published 1 August 1998
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Abstract

A high-pressure powder x-ray-diffraction experiment has been carried out on Ga up to 150 GPa at room temperature. The c/a axial ratio of the body-centered-tetragonal phase III continuously decreases with pressure and becomes 2 at 120±10GPa, where an fcc lattice is realized. There is no detectable volume change at the phase transition. The fcc phase Ga(IV) is stable to at least 150 GPa. Full-potential linearized augmented plane-wave calculations have been done to investigate the pressure dependence of the c/a axial ratio of phase III. The result of the calculation is in reasonable agreement with the present experiment. The energy band structure of fcc Ga has also been calculated with the pseudopotential method. The valence bands are found to touch the 3d core states at about 79 GPa.

  • Received 16 January 1998

DOI:https://doi.org/10.1103/PhysRevB.58.2482

©1998 American Physical Society

Authors & Affiliations

Takemura Kenichi*, Kobayashi Kazuaki, and Arai Masao

  • National Institute for Research in Inorganic Materials (NIRIM), Namiki 1-1, Tsukuba, Ibaraki 305-0044, Japan

  • *Electronic address: takemura@nirim.go.jp

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Issue

Vol. 58, Iss. 5 — 1 August 1998

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