2016年6月
First-principles Study of Stability of Cu in the Nd-rich and Nd Oxide Phases of Nd-Fe-B Permanent Magnet
JOURNAL OF THE CHINESE CHEMICAL SOCIETY
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- 巻
- 63
- 号
- 6
- 開始ページ
- 506
- 終了ページ
- 512
- 記述言語
- 英語
- 掲載種別
- DOI
- 10.1002/jccs.201500393
- 出版者・発行元
- WILEY-V C H VERLAG GMBH
In the Nd-Fe-B permanent magnet materials, existing of small amount of copper can increases the coercivity which is very important property of the magnet. In order to understand the microscopic mechanism of the effect of copper on the properties of the Nd-Fe-B magnet, first-principles calculations based on density functional theory coupled with cluster expansion method are performed to investigate the phase stability in Cu-doped Nd and Nd-O system. Calculations revealed that Cu is stable in both NdO-ZnS and N2O3-cI80 structures in a wide oxygen concentration range and the possible existing state of Cu in Nd-rich phase might be a solid solution of (Nd,Cu)O-ZnS.
- リンク情報
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- DOI
- https://doi.org/10.1002/jccs.201500393
- Web of Science
- https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000378826600008&DestApp=WOS_CPL
- URL
- https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84966429484&origin=inward
- ID情報
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- DOI : 10.1002/jccs.201500393
- ISSN : 0009-4536
- eISSN : 2192-6549
- SCOPUS ID : 84966429484
- Web of Science ID : WOS:000378826600008