First-principles investigation of intrinsic defects and (N, O) impurity atom stimulated Al vacancy in Ti2AlC

doi:10.1063/1.3058718

IMR OpenIR

	First-principles investigation of intrinsic defects and (N, O) impurity atom stimulated Al vacancy in Ti2AlC
	Liao, Ting 1,2; Wang, Jingyang 1; Zhou, Yanchun 1
通讯作者	Liao, Ting()
	2008-12-29
发表期刊	APPLIED PHYSICS LETTERS
ISSN	0003-6951
卷号	93 期号:26 页码:3
摘要	We use first-principles calculations to study the energetics of intrinsic defects in Ti2AlC 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 Al2O3 nanowires and nanofibers on the surface of Ti2AlC. 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.
关键词	ab initio calculations aluminium compounds nanotechnology nanowires nitrogen oxygen titanium compounds vacancies (crystal)
资助者	National Outstanding Young Scientist Foundation ; Natural Sciences Foundation of China
DOI	10.1063/1.3058718
收录类别	SCI
语种	英语
资助项目	National Outstanding Young Scientist Foundation ; Natural Sciences Foundation of China[50832008] ; Natural Sciences Foundation of China[50672102]
WOS研究方向	Physics
WOS类目	Physics, Applied
WOS记录号	WOS:000262225700032
出版者	AMER INST PHYSICS
引用统计	被引频次：40[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/321006/94574
专题	中国科学院金属研究所
通讯作者	Liao, Ting
作者单位	1.Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Peoples R China 2.Chinese Acad Sci, Grad Sch, Beijing 100039, Peoples R China
推荐引用方式 GB/T 7714	Liao, Ting,Wang, Jingyang,Zhou, Yanchun. First-principles investigation of intrinsic defects and (N, O) impurity atom stimulated Al vacancy in Ti2AlC[J]. APPLIED PHYSICS LETTERS,2008,93(26):3.
APA	Liao, Ting,Wang, Jingyang,&Zhou, Yanchun.(2008).First-principles investigation of intrinsic defects and (N, O) impurity atom stimulated Al vacancy in Ti2AlC.APPLIED PHYSICS LETTERS,93(26),3.
MLA	Liao, Ting,et al."First-principles investigation of intrinsic defects and (N, O) impurity atom stimulated Al vacancy in Ti2AlC".APPLIED PHYSICS LETTERS 93.26(2008):3.