Abstract
Within the density functional theory, ab initio calculations of the electronic structure and magnetic properties of the (110) interface between the NiMnSb alloy and GaAs in dependence on configuration of contact atoms are carried out. It is found that two out of six possible atomic configurations of the interface exhibit a high degree of spin polarization, which attains 100% for one of the interfacial structures studied here. It is shown that contacts with a high degree of spin polarization are the most stable with an adhesion energy of about 1.3 J/m2.
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