Half-metallic ferromagnetism in hypothetical wurtzite structure chromium chalcogenides

被引：0
作者：
Ming Zhang
Ekkes Brück
Frank R. de Boer
Guodong Liu
Hauning Hu
Zhuhong Liu
Yuting Cui
Guangheng Wu
机构：
[1] Universiteit van Amsterdam,Van der Waals
[2] State Key Laboratory for Magnetism,Zeeman Instituut
[3] Institute of Physics,Van der Waals
[4] Chinese Academy of Sciences,Zeeman Instituut
[5] Universiteit van Amsterdam,undefined
来源：
Journal of Materials Research | 2004年 / 19卷
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摘要：
The hypothetical wurtzite structure chromium chalcogenides were investigated through first-principle calculation within density-functional theory. All compounds are predicted to be true half-metallic ferromagnets with an integer Bohr magneton of 4 μB per unit. Their half-metallic gaps are 1.147, 0.885, and 0.247 eV at their equilibrium volumes for wurtzite-type CrM (M = S, Se, and Te), respectively. The half-metallicity can be mauntauned even when volumes are expanded by more than 20% for all compounds and compressed by more than 20%, 20%, and 5%, for CrS, CrSe, and crTe, respectively.
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页码：2738 / 2741
页数：3
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