A theoretical study on various models for the domain boundaries in epitaxial GaN films

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	A theoretical study on various models for the domain boundaries in epitaxial GaN films
	S. Q. Wang; Y. M. Wang; H. Q. Ye
	2000
发表期刊	Applied Physics a-Materials Science & Processing
ISSN	0947-8396
卷号	70 期号:4 页码:475-480
摘要	Various domain boundaries that are found in epitaxial Wurtzite GaN films were studied by molecular dynamics simulation. The Ewald summation algorithm and Keating potential model are adopted to calculate the long-range Coulomb interaction and the short-range bonding force in the semiconductor system, respectively. The research results show that the domain formation energies of (1 (1) over bar 00) and (1 (1) over bar 20) boundaries are significantly different. The latter ones have general quite higher formation energies than the formers. The Like-atom (i.e, atoms of the same kind) bonding domain boundaries (LABDB) have higher formation energies than their counterparts of unlike-atom (i.e. atoms of different kinds) bonding domain boundaries (UABDB) in all GaN (1 (1) over bar 00) and (11 (2) over bar 0) interfaces. The UABDB structures are all stable while most of the LABDB are unstable. The advantage and the limitation of Keating potential model in Molecular Dynamics simulation for covalent crystal are discussed.
部门归属	chinese acad sci, inst met res, atom imaging solids lab, shenyang 110015, peoples r china.;wang, sq (reprint author), chinese acad sci, inst met res, atom imaging solids lab, 72 wenhua rd, shenyang 110015, peoples r china
关键词	Molecular-beam Epitaxy Defect Structure Wurtzite Gan Mocvd Aln
URL	查看原文
WOS记录号	WOS:000086648400022
引用统计	被引频次：9[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/321006/37196
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	S. Q. Wang,Y. M. Wang,H. Q. Ye. A theoretical study on various models for the domain boundaries in epitaxial GaN films[J]. Applied Physics a-Materials Science & Processing,2000,70(4):475-480.
APA	S. Q. Wang,Y. M. Wang,&H. Q. Ye.(2000).A theoretical study on various models for the domain boundaries in epitaxial GaN films.Applied Physics a-Materials Science & Processing,70(4),475-480.
MLA	S. Q. Wang,et al."A theoretical study on various models for the domain boundaries in epitaxial GaN films".Applied Physics a-Materials Science & Processing 70.4(2000):475-480.