Surface properties of the half- and full-Heusler alloys
Surface properties of the half- and full-Heusler alloys
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DOI：
10.1088/0953-8984/14/25/303
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发表时间：
2002-07-01
影响因子：
2.7
通讯作者：
Galanakis, I
中科院分区：
文献类型：
--
作者：
Galanakis, I
使用全电势从头计算技术，我研究了半霍斯勒合金 NiMnSb、CoMnSb 和 PtMnSb 以及全霍斯勒合金 Co2MnGe、Co2MnSi 和 Co2CrAl 的 (001) 表面的电子和磁性。半霍斯勒化合物的 MnSb 封端表面呈现出与块体化合物类似的性质，尽管失去了半金属性，但在费米能级具有重要的自旋极化。与此相反，镍端接表面显示出几乎为零的净自旋极化。虽然块状 Co2MnGe 和 Co2MnSi 几乎是半铁磁性的，但它们的表面失去了半金属特性，并且费米能级的净自旋极化接近于零。相比之下，Co2CrAl 的 CrAl 终止 (001) 表面显示出约 84% 的自旋极化。
Using a full-potential ab initio technique I study the electronic and magnetic properties of the (001) surfaces of the half-Heusler alloys NiMnSb, CoMnSb and PtMnSb and of the full-Heusler alloys Co2MnGe, Co2MnSi and Co2CrAl. The MnSb-terminated surfaces of the half-Heusler compounds present properties similar to those of the bulk compounds and, although the half-metallicity is lost, an important spin polarization at the Fermi level. In contrast to this, the Ni-terminated surface shows an almost zero net spin polarization. While the bulk Co2MnGe and Co2MnSi are almost half-ferromagnetic, their surfaces lose the half-metallic character and the net spin polarization at the Fermi level is close to zero. In contrast, the CrAl-terminated (001) surface of Co2CrAl shows a spin polarization of about 84%.