Interface properties of NiMnSb/InP and NiMnSb/GaAs contacts
Interface properties of NiMnSb/InP and NiMnSb/GaAs contacts
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DOI：
10.1103/physrevb.71.214431
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发表时间：
2004-09
影响因子：
3.7
通讯作者：
I. Galanakis;M. Ležaić;G. Bihlmayer;S. Bluegel
中科院分区：
文献类型：
--
作者：
I. Galanakis;M. Ležaić;G. Bihlmayer;S. Bluegel
用两种不同的全势能电子结构方法研究了半金属Heusler合金NiMnSb与二元半导体InP和GaAs界面上的电磁性质。虽然在大多数NiMnSb/InP(001)接触的情况下，半金属性会丢失，但当界面由Ni和P层组成时，仍有可能保持高度的自旋极化。对于砷化镓半导体，Ni-$d$和As-$p$轨道之间的较大杂化相对于Ni-$d$和P-$p$轨道之间的杂化破坏了这种极化。(111)界面呈现出很强的界面态，但在这种情况下，很少有界面在费米能级上表现出高的自旋极化，其值可以达到74%。
We study the electronic and magnetic properties of the interfaces between the half-metallic Heusler alloy NiMnSb and the binary semiconductors InP and GaAs using two different state-of-the-art full-potential \textit{ab-initio} electronic structure methods. Although in the case of most NiMnSb/InP(001) contacts the half-metallicity is lost, it is possible to keep a high degree of spin-polarization when the interface is made up by Ni and P layers. In the case of the GaAs semiconductor the larger hybridization between the Ni-$d$ and As-$p$ orbitals with respect to the hybridization between the Ni-$d$ and P-$p$ orbitals destroys this polarization. The (111) interfaces present strong interface states but also in this case there are few interfaces presenting a high spin-polarization at the Fermi level which can reach values up to 74%.