Electronic structure and magnetism in full-Heusler compound Mn2ZnGe |
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Authors: | Xiao-Ping WeiXian-Ru Hu Bin LiuYi Lei Hong DengMing-Kun Yang Jian-Bo Deng |
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Affiliation: | Department of Physics, LanZhou University, Lanzhou 730000, People's Republic of China |
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Abstract: | The first-principle calculations within density functional theory are used to investigate the electronic structure and magnetism of the Mn2ZnGe Heusler alloy with CuHg2Ti-type structure. The half-metallic ferrimagnets (HMFs) in Mn2ZnGe are predicted. The energy gap lies in the minority-spin band for the Mn2ZnGe alloy. The calculated total spin magnetic moment is −2μB per unit cell for Mn2ZnGe alloy, the magnetic moments of Zn and Mn(B) are antiparallel to that of Mn(A), and we also found that the half-metallic properties of Mn2ZnGe are insensitive to the dependence of lattice within the wide range of 5.69 and 5.80 Å where exhibiting perfect 100% spin polarization at the Fermi energy. |
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Keywords: | Heusler alloy Half-metal Electronic structure Magnetic property Mn2ZnGe |
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