2VZ (Z = P and As) full-Heusler alloys. The results reveal that Cr2VZ (Z = P and As) is stable in ferri-magnetic configuration. The total magnetic moment of Cr2VAs is -2 μB per formula unit at the equilibrium state, obeying the Slater–Pauling rule . Cr2VP is a common magnet. Based on the hybridization between the Cr?3d and V?3d electrons, we analyzed the origin of energy gap in the minority channel."/>

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Cr2VZ (Z = P, As) 全赫斯勒合金的能帶、半金屬與磁性
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1.沈陽理工大學;2.沈陽師范大學

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the National Natural Science Foundation of China under Grant No. 11674233 and Liaoning BaiQianWan Talents Program


Band structures, half-metallicity and magnetic propertiesin Cr2VZ (Z = P, As) full-Heusler alloys
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    摘要:

    Using first-principles calculations based on density functional theory, we probe the band structures, half-metallicity and magnetic properties in Cr2VZ (Z = P and As) full-Heusler alloys. The results reveal that Cr2VZ (Z = P and As) is stable in ferri-magnetic configuration. The total magnetic moment of Cr2VAs is -2 μB per formula unit at the equilibrium state, obeying the Slater–Pauling rule . Cr2VP is a common magnet. Based on the hybridization between the Cr?3d and V?3d electrons, we analyzed the origin of energy gap in the minority channel.

    Abstract:

    Using first-principles calculations based on density functional theory, we probe the band structures, half-metallicity and magnetic properties in Cr2VZ (Z = P and As) full-Heusler alloys. The results reveal that Cr2VZ (Z = P and As) is stable in ferri-magnetic configuration. The total magnetic moment of Cr2VAs is -2 μB per formula unit at the equilibrium state, obeying the Slater–Pauling rule . Cr2VP is a common magnet. Based on the hybridization between the Cr?3d and V?3d electrons, we analyzed the origin of energy gap in the minority channel.

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武小娟,范曉嵐,王颯,洪鑫,謝金峰,高雅,徐乾皓,封文江. Cr2VZ (Z = P, As) 全赫斯勒合金的能帶、半金屬與磁性[J].稀有金屬材料與工程,2021,50(2):483~487.[Wu Xiaojuan, Fan Xiaolan, Wang Sa, Hong Xin, Xie Jinfeng, Gaoya, Xu Qiaohao, Feng Wenjiang. Band structures, half-metallicity and magnetic propertiesin Cr2VZ (Z = P, As) full-Heusler alloys[J]. Rare Metal Materials and Engineering,2021,50(2):483~487.]
DOI：10.12442/j. issn.1002-185X.20200058

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  • 收稿日期:2020-01-28
  • 最后修改日期:2020-04-17
  • 錄用日期:2020-04-17
  • 在線發(fā)布日期: 2021-03-09
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