論文

査読有り 筆頭著者
2009年

Possibility of imperfections in α-boron

Journal of Physics: Conference Series
  • Haruhiko Dekura
  • ,
  • Koun Shirai
  • ,
  • Akira Yanase

176
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
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
  • DOI : 10.1088/1742-6596/176/1/012004
  • ISSN : 1742-6588
  • SCOPUS ID : 69549122792
  • Web of Science ID : WOS:000285915600004

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