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Band structures, half-metallicity and magnetic propertiesin Cr2VZ (Z = P, As) full-Heusler alloys
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    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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[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.]
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History
  • Received:January 28,2020
  • Revised:April 17,2020
  • Adopted:April 17,2020
  • Online: March 09,2021
  • Published: