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TT: Fachverband Tiefe Temperaturen

TT 80: Low-Dimensional Systems - Poster Session

TT 80.7: Poster

Mittwoch, 2. April 2014, 15:00–19:00, P2

Interface properties of NiMnSb/MgO and NiMnSi/MgO heterostructures — •Rui-Jing Zhang¹, Ulrich Eckern¹, and Udo Schwingenschlögl² — ¹Institute of Physics, University of Augsburg, 86135 Augsburg, Germany — ²KAUST, PSE Division, Thuwal 23955-6900, Kingdom of Saudi Arabia

The electronic and magnetic properties of the interfaces between the half-metallic Heusler alloys NiMnSb, NiMnSi and MgO have been investigated using first-principles density-functional calculations with projector augmented wave potentials generated in the generalized gradient approximation. In the case of the NiMnSb/MgO (100) interface the half-metallicity is lost, whereas the MnSb/MgO contact in the NiMnSb/MgO (100) interface maintains a substantial degree of spin polarization at the Fermi level (∼ 60%). Remarkably, the NiMnSi/MgO (111) interface shows 100% spin polarization at the Fermi level, despite considerable distortions at the interface, as well as rather short Si/O bonds after full structural optimization. This behavior markedly distinguishes NiMnSi/MgO (111) from the corresponding NiMnSb/CdS and NiMnSb/InP interfaces.