2009年
Possibility of imperfections in α-boron
Journal of Physics: Conference Series
- ,
- ,
- 巻
- 176
- 号
- 記述言語
- 英語
- 掲載種別
- 研究論文(国際会議プロシーディングス)
- DOI
- 10.1088/1742-6596/176/1/012004
Recently, we have shown by density functional theory calculations that α-boron is the most stable phase at low temperature among icosahedron-based boron crystals. This is consistent with low-temperature crystal growth of α-boron. A problem of the calculation is, however, that the conclusion would be changed if defect states for β-boron, which are observed in experiment, were taken into account. This urges us to suspect the perfectness of α-boron crystal. In this paper, we investigate possibility of imperfections of α-boron from the standpoint of crystal stability. Intrinsic defects of vacancy and self-interstitial have been examined. Based on the total energy calculations, we conclude that intrinsic defects are not present at a level above 0.1 at%. © 2009 IOP Publishing Ltd.
- リンク情報
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- DOI
- https://doi.org/10.1088/1742-6596/176/1/012004
- Web of Science
- https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000285915600004&DestApp=WOS_CPL
- URL
- https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=69549122792&origin=inward
- ID情報
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- DOI : 10.1088/1742-6596/176/1/012004
- ISSN : 1742-6588
- SCOPUS ID : 69549122792
- Web of Science ID : WOS:000285915600004