Triangle defect states of hexagonal boron nitride atomic layer: Density functional theory calculations

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	Triangle defect states of hexagonal boron nitride atomic layer: Density functional theory calculations
	L. C. Yin; H. M. Cheng; R. Saito
	2010
发表期刊	Physical Review B
ISSN	1098-0121
卷号	81 期号:15
摘要	Triangle defect states of hexagonal boron nitride (h-BN) atomic layer were studied by a density functional theory calculation. N(B) triangle defect states of h-BN atomic layer with N(B) edge atoms have acceptor (donor) levels. A cohesive energy calculation indicates that the h-BN atomic layer with N triangle defects is more or less stable, respectively, than that with B triangle defects when it is negatively or positively charged, which is consistent with the recent experimental observation of N triangle defects in h-BN atomic layer. Charge population analysis shows that the edge N(B) atoms surrounding the N(B) triangle defect are negatively (positively) charged. Such a charged triangle defects in h-BN may serve as a potential nanolens for electron-beam focusing.
部门归属	[yin, li-chang; saito, riichiro] tohoku univ, dept phys, sendai, miyagi 9808578, japan. [yin, li-chang; cheng, hui-ming] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china.;yin, lc (reprint author), tohoku univ, dept phys, sendai, miyagi 9808578, japan;lcyin@imr.ac.cn
关键词	Energy
URL	查看原文
WOS记录号	WOS:000277210500023
引用统计	被引频次：63[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/321006/31653
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	L. C. Yin,H. M. Cheng,R. Saito. Triangle defect states of hexagonal boron nitride atomic layer: Density functional theory calculations[J]. Physical Review B,2010,81(15).
APA	L. C. Yin,H. M. Cheng,&R. Saito.(2010).Triangle defect states of hexagonal boron nitride atomic layer: Density functional theory calculations.Physical Review B,81(15).
MLA	L. C. Yin,et al."Triangle defect states of hexagonal boron nitride atomic layer: Density functional theory calculations".Physical Review B 81.15(2010).