Search for half-metallic magnets with large half-metallic gaps in the quaternary Heusler alloys CoFeTiZ and CoFeVZ (Z=Al, Ga, Si, Ge, As, Sb)

Lun Xiong; Lin Yi; G.Y. Gao

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Search for half-metallic magnets with large half-metallic gaps in the quaternary Heusler alloys CoFeTiZ and CoFeVZ (Z=Al, Ga, Si, Ge, As, Sb)

机译：在四元Heusler合金CoFeTiZ和CoFeVZ（Z = Al，Ga，Si，Ge，As，Sb）中搜索具有大半金属间隙的半金属磁体

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We investigate the electronic structure and magnetic properties of the twelve quaternary Heusler alloys CoFeTiZ and CoFeVZ (Z=Al, Ga, Si, Ge, As, Sb) by using the first-principles calculations. It is shown that only CoFeTiSi, CoFeTiAs and CoFeVSb are half-metallic ferromagnets with considerable half-metallic gaps of 0.31, 0.18 and 0.17 eV, respectively. CoFeTiAl and CoFeTiGa are conventional semiconductors, and other alloys exhibit nearly half-metallicity or their half-metallic gaps are almost zero eV. We also find that the half-metallicities of CoFeTiSi, CoFeTiAs and CoFeVSb can be preserved under appropriate uniform and in-plane strains. The considerable half-metallic gaps and the robust half-metallicities under uniform and in-plane strains make CoFeTiSi, CoFeTiAs and CoFeVSb promising candidates for spintronic applications.

机译：我们使用第一性原理计算研究了十二种Heusler四元Heusler合金CoFeTiZ和CoFeVZ（Z = Al，Ga，Si，Ge，As，Sb）的电子结构和磁性。结果表明，只有CoFeTiSi，CoFeTiAs和CoFeVSb是半金属铁磁体，其半金属间隙分别为0.31、0.18和0.17 eV。 CoFeTiAl和CoFeTiGa是常规半导体，其他合金表现出近乎半金属性或它们的半金属间隙几乎为零eV。我们还发现，在适当的均匀和平面应变下，可以保留CoFeTiSi，CoFeTiAs和CoFeVSb的半金属。 CoFeTiSi，CoFeTiAs和CoFeVSb具有相当大的半金属间隙以及在均匀和面内应变下强大的半金属性，因此有望成为自旋电子应用的候选材料。

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来源
《Journal of magnetism and magnetic materials》 |2014年第6期|98-103|共6页
作者
Lun Xiong; Lin Yi; G.Y. Gao;
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作者单位

School of Physics, Huazhong University of Science and Technology, Wuhan 430074, China,Laboratory of Optical Information Technology and School of Science, Wuhan Institute of Technology, Wuhan 430073, China;

School of Physics, Huazhong University of Science and Technology, Wuhan 430074, China;

School of Physics, Huazhong University of Science and Technology, Wuhan 430074, China;

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原文格式 PDF
正文语种 eng
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关键词
Half-metallic; Heusler alloy; First-principles calculation;

机译：半金属Heusler合金;第一性原理计算;

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Search for half-metallic magnets with large half-metallic gaps in the quaternary Heusler alloys CoFeTiZ and CoFeVZ (Z=Al, Ga, Si, Ge, As, Sb)

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