MISC

2001年3月

Calculation of the density of states of transition metal monosilicides by a first-principle pseudopotential method using plane-wave basis

INTERMETALLICS
  • Y Imai
  • ,
  • M Mukaida
  • ,
  • K Kobayashi
  • ,
  • T Tsunoda

9
3
開始ページ
261
終了ページ
268
記述言語
英語
掲載種別
DOI
10.1016/S0966-9795(01)00002-4
出版者・発行元
ELSEVIER SCI LTD

The density of states (DOS) of transition metal monosilicides of the following types of structures have been calculated; FeSi, CrB, FeB and MnP. The DOS curves of FeSi and CoSi in an equilibrium structure have a gap or quite low values at the Fermi level. The DOS of MnSi is split at the Fermi level by spin-polarization. The Fermi levels of ScSi, YSi (IIIa Group) with a CrB type structure, LaSi (IIIa Group) with an FeB type structure, and TiSi (IVa Group) with an FeB type structure are located just in the dip or in the region of relatively low DOS values. The Fermi level of equilibrium for RhSi and IrSi with a MnP-type structure lies in the region out of high DOS values but that of hypothetical CoSi with the same type of structure does not. Thus, the principle of ' the DOS at the Fermi level would be, hopefully, smaller in an energetically-favored structure ' is valid in these silicides. (C) 2001 Elsevier Science Ltd. All rights reserved.

Web of Science ® 被引用回数 : 30

リンク情報
DOI
https://doi.org/10.1016/S0966-9795(01)00002-4
CiNii Articles
http://ci.nii.ac.jp/naid/80012183115
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000167622700010&DestApp=WOS_CPL
ID情報
  • DOI : 10.1016/S0966-9795(01)00002-4
  • ISSN : 0966-9795
  • eISSN : 1879-0216
  • CiNii Articles ID : 80012183115
  • Web of Science ID : WOS:000167622700010

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