Origin of the Z−28 rule in Mn2Cu-based Heusler alloys: A comparing study
Origin of the Z−28 rule in Mn2Cu-based Heusler alloys: A comparing study
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DOI：
10.1016/j.jmmm.2012.02.026
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发表时间：
2012-07
影响因子：
2.7
通讯作者：
Hongzhi Luo;F. Meng;Heyan Liu;Jianqiang Li;Enke Liu;Guangheng Wu;Xiaoxi Zhu;Chengbao Jiang
中科院分区：
文献类型：
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作者：
Hongzhi Luo;F. Meng;Heyan Liu;Jianqiang Li;Enke Liu;Guangheng Wu;Xiaoxi Zhu;Chengbao Jiang
本文详细研究了半金属Heusler合金Mn2CuZ （Z=Ge和Sb）中Slater-Pauling曲线Mt=Zt−28（其中Mtis为总自旋动量，Ztis为价电子数）的起源。在Mn2CuZ中，半金属间隙的起源与半heusler合金相似。Cu原子在Mn2CuZ中充当电子“供体”，在Mn2CuZ的少数自旋带中贡献了5个d电子。因此在Mn2CuZ的少数能带中有14个价电子在费米能级以下。这是S-P曲线的原点Mt= Zt-28。最后发现，在半金属半heusler合金的空穴上部分掺杂Cu，可以在不破坏半金属性的情况下调整其磁矩。这可能是设计新型半金属的一种可能方法。
The origin of the Slater–Pauling curve Mt=Zt−28 (Here Mtis the total spin moment and Ztis the number of valence electrons) in half-metallic Heusler alloys Mn2CuZ (Z=Ge and Sb) has been studied in detail. In Mn2CuZ the half-metallic gap has a similar origin like half-Heusler alloys. The Cu atom acts as an electron “donator” in Mn2CuZ, which contributes five d-electrons to the minority spin band of Mn2CuZ. So there are 14 valence electrons in the minority band of Mn2CuZ below the Fermi level. This is the origin of the S–P curve Mt=Zt–28. Finally, it is found that, by partial doping of Cu to the vacant site of half-metallic half-Heusler alloys, the magnetic moments of these can be tuned without destroying the half-metallicity. This can be a possible way to design new half-metals.