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# Ab-initio study of electronic and magnetic properties of Mn$$_2$$RuZ/MgO (001) heterojunctions (Z= Al, Ga, Si, Ge)

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### Abstract

Using first-principles calculations, we studied Mn$$_2$$RuZ (Z=Al, Ga, Si, Ge) and their heterojunctions with MgO along (001) direction. All these alloys possess Hg$$_2$$CuTi-type inverse Heusler alloy structure and ferrimagnetic ground state. Our study reveals the half-metallic electronic structure with highly spin-polarized $$\Delta_1$$ band, which is robust against atomic disorder. Next we studied the electronic structure of Mn$$_2$$RuAl/MgO and Mn$$_2$$RuGe/MgO heterojunctions. We found that the MnAl- or MnGe-terminated interface is energetically more favorable compared to the MnRu-terminated interface. Interfacial states appear at the Fermi level in the minority-spin gap for the Mn$$_2$$RuGe/MgO junction. We discuss the origin of these interfacial states in terms of local environment around each constituent atom. On the other hand, in the Mn$$_2$$RuAl/MgO junction, high spin polarization of bulk Mn$$_2$$RuAl is preserved independent of its termination.

### Author and article information

###### Journal
13 October 2020
###### Article
2010.06761