First-principles study on elastic properties and phase stability of III-V compounds

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	First-principles study on elastic properties and phase stability of III-V compounds
	S. Q. Wang; H. Q. Ye
	2003
Source Publication	Physica Status Solidi B-Basic Research
ISSN	0370-1972
Volume	240 Issue:1 Pages:45-54
Abstract	The results of first-principles plane-wave pseudopotential calculations of the elastic constants for a total of 25 III-V binary phases of both zincblende and wurtzite poly-types are presented. In addition, the study shows that the relaxation of internal parameters is extremely important to the accuracy of the results. A larger anisotropy factor favors the wurtzite structure while the zincblende structure is preferred for lower anisotropy factors. The boron phases have quite different behavior in both their elastic and structural properties from the other III-V compounds.
description.department	chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. rhein westfal th aachen, inst phys met & met phys, d-52056 aachen, germany.;wang, sq (reprint author), chinese acad sci, inst met res, shenyang natl lab mat sci, 72 wenhua rd, shenyang 110016, peoples r china
Keyword	Electronic-structure Structural-properties Pressure-dependence First-principles Gallium Nitride Plane-wave Constants Aln Gan Semiconductors
URL	查看原文
WOS ID	WOS:000186578800006
Citation statistics	Cited Times:258[WOS] [WOS Record] [Related Records in WOS]
Document Type	期刊论文
Identifier	http://ir.imr.ac.cn/handle/321006/36055
Collection	中国科学院金属研究所
Recommended Citation GB/T 7714	S. Q. Wang,H. Q. Ye. First-principles study on elastic properties and phase stability of III-V compounds[J]. Physica Status Solidi B-Basic Research,2003,240(1):45-54.
APA	S. Q. Wang,&H. Q. Ye.(2003).First-principles study on elastic properties and phase stability of III-V compounds.Physica Status Solidi B-Basic Research,240(1),45-54.
MLA	S. Q. Wang,et al."First-principles study on elastic properties and phase stability of III-V compounds".Physica Status Solidi B-Basic Research 240.1(2003):45-54.

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