Regensburg 2013 – wissenschaftliches Programm
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TT: Fachverband Tiefe Temperaturen
TT 58: Poster Session Transport & Matter at Low Temperature
TT 58.16: Poster
Donnerstag, 14. März 2013, 15:00–19:00, Poster D
Electronic and magnetic properties of NiMnSb/MgO and NiMnSi/MgO interfaces — •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 and NiMnSi, and MgO have been investigated using first-principles density-functional calculations with projector augmented wave (PAW) potentials generated with Generalized Gradient Approximation. In all the cases of NiMnSb/MgO(100) and NiMnSb(Si)/MgO(111), the half-metallicity is lost. However, the MnSb/MgO-terminated interface in the NiMnSb/MgO(100) contact keeps a high degree of spin polarization at the Fermi level, which can be up to 77%. The (111) interfaces show a spin polarization at the Fermi level of around 52% at most for NiMnSb/MgO with Sb/O termination, which has more potential in real applications than NiMnSi/MgO(111) with Si/O termination (36% spin polarization).