First-principles investigation of intrinsic defects and (N, O) impurity atom stimulated Al vacancy in Ti(2)AlC

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	First-principles investigation of intrinsic defects and (N, O) impurity atom stimulated Al vacancy in Ti(2)AlC
	T. Liao; J. Y. Wang; Y. C. Zhou
	2008
发表期刊	Applied Physics Letters
ISSN	0003-6951
卷号	93 期号:26
摘要	We use first-principles calculations to study the energetics of intrinsic defects in Ti(2)AlC and the effect of N or O impurity atoms on the generation of Al vacancies. The insertion of impurity atoms lowers the vacancy formation energy of its neighboring Al. The formation of Al vacancies is related to the experimental observations of growth of AlN or Al(2)O(3) nanowires and nanofibers on the surface of Ti(2)AlC. Since the growth of these nanostructures is controlled by the generation and migration of intrinsic defects, we propose that a tunable method for synthesis of such nanostructures is possible by controlling impurities.
部门归属	[liao, ting; wang, jingyang; zhou, yanchun] chinese acad sci, shenyang natl lab mat sci, inst met res, shenyang 110016, peoples r china. [liao, ting] chinese acad sci, grad sch, beijing 100039, peoples r china.;liao, t (reprint author), chinese acad sci, shenyang natl lab mat sci, inst met res, shenyang 110016, peoples r china;jywang@imr.ac.cn
关键词	Ab Initio Calculations Aluminium Compounds Nanotechnology Nanowires Nitrogen Oxygen Titanium Compounds Vacancies (Crystal) Surfaces Ga
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/32924
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	T. Liao,J. Y. Wang,Y. C. Zhou. First-principles investigation of intrinsic defects and (N, O) impurity atom stimulated Al vacancy in Ti(2)AlC[J]. Applied Physics Letters,2008,93(26).
APA	T. Liao,J. Y. Wang,&Y. C. Zhou.(2008).First-principles investigation of intrinsic defects and (N, O) impurity atom stimulated Al vacancy in Ti(2)AlC.Applied Physics Letters,93(26).
MLA	T. Liao,et al."First-principles investigation of intrinsic defects and (N, O) impurity atom stimulated Al vacancy in Ti(2)AlC".Applied Physics Letters 93.26(2008).