| 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 | |
| Source Publication | Journal of Alloys and Compounds
 |
| ISSN | 0925-8388 |
| Volume | 582Pages:181-185 |
| Abstract | 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. |
| description.department | [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 |
| Keyword | 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 |
| Language | 英语 |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/72419 |
| Collection | 中国科学院金属研究所 |
| Recommended Citation 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. |
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