Structural stability and electronic structures of (111) twin boundaries in the rock-salt MnS

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	Structural stability and electronic structures of (111) twin boundaries in the rock-salt MnS
	Y. B. Xue; Y. T. Zhou; D. Chen; X. L. Ma
	2014
发表期刊	Journal of Alloys and Compounds
ISSN	0925-8388
卷号	582 页码:181-185
摘要	In the work, we report a theoretical and experimental study of the {1 1 1} twin boundaries in the rock-salt MnS using aberration-corrected transmission electron microscopy (TEM) and density functional theory. The experimental TEM images are supported by first-principle calculations. In comparison with magnesium oxide, we also explained why it is comparatively more stable for twins to exist in MnS rather than in MgO, which may help us better understand the properties of different ionic compounds. (C) 2013 Elsevier B. V. All rights reserved.
部门归属	[xue, y. b. ; zhou, y. t. ; chen, d. ; ma, x. l.] chinese acad sci, shenyang natl lab mat sci, inst met res, shenyang 110016, peoples r china. ; chen, d (reprint author), chinese acad sci, shenyang natl lab mat sci, inst met res, wenhua rd 72, shenyang 110016, peoples r china. ; dchen@imr.ac.cn ; xlma@imr.ac.cn
关键词	Twin Rock-salt Compounds Tem First Principles Calculation Brillouin-zone Integrations Stacking-fault Ab-initio 1st-principles Magnesium Strength Density
URL	查看原文
语种	英语
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/72419
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. B. Xue,Y. T. Zhou,D. Chen,et al. Structural stability and electronic structures of (111) twin boundaries in the rock-salt MnS[J]. Journal of Alloys and Compounds,2014,582:181-185.
APA	Y. B. Xue,Y. T. Zhou,D. Chen,&X. L. Ma.(2014).Structural stability and electronic structures of (111) twin boundaries in the rock-salt MnS.Journal of Alloys and Compounds,582,181-185.
MLA	Y. B. Xue,et al."Structural stability and electronic structures of (111) twin boundaries in the rock-salt MnS".Journal of Alloys and Compounds 582(2014):181-185.