Structural, half-metallic magnetism and elastic properties of the KMnQ2 (Q=O, S, Se, Te) chalcogenides from first-principles calculations
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- 作者：A. Benmakhloufa ; b ; A. Bentabetc ; A. Bouhemadoud ; a_bouhemadou@yahoo.fr" class="auth_mail" title="E-mail the corresponding author ; S. Maabedb ; A. Benghiab ; R. Khenatae ; S. Bin-Omranf
- 关键词：Ternary chalcogenides ; Spin-polarized calculations ; Half-metallic ; Magnetic properties ; Elastic constants
- 刊名：Journal of Magnetism and Magnetic Materials
- 出版年：2016
- 出版时间：15 June 2016
- 年：2016
- 卷：408
- 期：Complete
- 页码：199-205
- 全文大小：2163 K
文摘
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Some physical properties of the KMnQ2 (Q=O, S, Se, Te) compounds have been predicted.
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The considered crystals are soft materials and mechanically stable.
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The examined materials are found to be half-metallic.
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The magnetic moment is mainly originated from the transition metal Mn.