書誌事項
- タイトル別名
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- Electronic and Magnetic Structures of Cobalt Substituted Mn<sub>2</sub>Sb
- Co置換したMn₂Sbの電子構造と磁性
- Co チカン シタ Mn ₂ Sb ノ デンシ コウゾウ ト ジセイ
- Electronic and Magnetic Structures of Cobalt Substituted Mn2Sb
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First-principles band-structure calculations have been carried out for CoMnSb and MnCoSb, where the Co atom is substituted for Mn(I) and Mn(II) in Mn2Sb, respectively. Among several magnetic structures, a ferromagnetic (F) state and a kind of antiferromagnetic (AF) state only converge. For both magnetic states, the Co atom energetically prefers the Mn(I) site to the Mn(II) site, and the magnetic moments of Co on Mn(I) have a parallel coupling with those of Mn(II). The lattice constant c (a) shrinks (expands) from F to AF states. These are in good agreement with experimental trends. Furthermore, our result shows that the optimization of the ratio c/a (lattice distortion) is crucial to determine a preferable magnetic order and that the optimization of the atomic positions of Mn(II) and Sb is also crucial.<br>
収録刊行物
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- 日本金属学会誌
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日本金属学会誌 77 (10), 461-465, 2013
公益社団法人 日本金属学会
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詳細情報 詳細情報について
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- CRID
- 1390282681457631616
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- NII論文ID
- 10031201582
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- NII書誌ID
- AN00187860
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- COI
- 1:CAS:528:DC%2BC3sXhvFajsL%2FK
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- ISSN
- 18806880
- 24337501
- 00214876
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- NDL書誌ID
- 024948825
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- 本文言語コード
- ja
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- データソース種別
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- JaLC
- NDL
- Crossref
- CiNii Articles
- KAKEN
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- 抄録ライセンスフラグ
- 使用不可