Structures and phase transition of GaAs under pressure

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	Structures and phase transition of GaAs under pressure
	C. Hong-Ling; C. Xiang-Rong; J. Guang-Fu; W. Dong-Qing
	2008
发表期刊	Chinese Physics Letters
ISSN	0256-307X
卷号	25 期号:6 页码:2169-2172
摘要	A first-principles plane wave method with the ultrasoft pseudopotential scheme in the frame of the density functional theory (DFT) is performed to calculate the lattice parameters a and c, the bulk modulus B(0) and its pressure derivative B'(0) of the zinc-blende GaAs (ZB-GaAs), rocksalt GaAs (RS-GaAs), CsCl-GaAs, NiAs-GaAs and wurtzite GaAs (WZ-GaAs). Our results are consistent with the available experimental data and other theoretical results. We also calculate the phase transition pressures among these different phases. The results are satisfactory.
部门归属	[cui hong-ling; chen xiang-rong] sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. [chen xiang-rong] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. [ji guang-fu] china acad engn phys, lab shock wave & detonat phys res, inst fluid phys, mianyang 621900, peoples r china. [wei dong-qing] shanghai jiao tong univ, coll life sci & biotechnol, shanghai 200240, peoples r china.;xiang-rong, c (reprint author), sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china;xrchen@126.com cyfjkf@caep.ac.cn
关键词	Iii-v Electronic-structure Gallium-arsenide Semiconductors Stability Alas Iv Si
URL	查看原文
WOS记录号	WOS:000256252600067
引用统计	被引频次：3[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/32805
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	C. Hong-Ling,C. Xiang-Rong,J. Guang-Fu,et al. Structures and phase transition of GaAs under pressure[J]. Chinese Physics Letters,2008,25(6):2169-2172.
APA	C. Hong-Ling,C. Xiang-Rong,J. Guang-Fu,&W. Dong-Qing.(2008).Structures and phase transition of GaAs under pressure.Chinese Physics Letters,25(6),2169-2172.
MLA	C. Hong-Ling,et al."Structures and phase transition of GaAs under pressure".Chinese Physics Letters 25.6(2008):2169-2172.