First-principles study of zinc-blende to rocksalt phase transition in BP and BAs

Shouxin Cui; Wenxia Feng; Haiquan Hu; Zhenbao Feng; Yuanxu Wang

doi:10.1016/j.commatsci.2008.09.009

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First-principles study of zinc-blende to rocksalt phase transition in BP and BAs

Shouxin Cui Wenxia Feng Haiquan Hu Zhenbao Feng Yuanxu Wang

Year: 2008 Journal: Computational Materials Science Vol: 44 (4)Pages: 1386-1389 Publisher: Elsevier BV

DOI: 10.1016/j.commatsci.2008.09.009

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Keywords:

Pseudopotential Hydrostatic pressure Condensed matter physics Phase transition Phase (matter) Semimetal Hydrostatic equilibrium Materials science Zinc Electronic structure Chemistry Band gap Thermodynamics Physics Metallurgy Quantum mechanics

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Boron and Carbon Nanomaterials Research

Physical Sciences → Materials Science → Materials Chemistry

Intermetallics and Advanced Alloy Properties

Physical Sciences → Engineering → Mechanical Engineering

Surface and Thin Film Phenomena

Physical Sciences → Physics and Astronomy → Atomic and Molecular Physics, and Optics

First-principles study of zinc-blende to rocksalt phase transition in BP and BAs

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