Half-metallicity at the (110) interface between a full Heusler alloy and GaAs

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The electronic properties of Co2 CrAl GaAs interfaces are investigated by using first-principles calculations with density functional theory. It is found that spin polarization tends to remain relatively high at the (110) interface and reaches almost unity for a specific (110) interfacial structure. Furthermore, the nearly-half-metallic interface turns out to be the most stable of the (110) interfacial structures studied here. Spin polarization calculated only from the sp -projected density of states is also examined in order to eliminate the effects stemming from the localized d components. The analysis shows that the high spin polarization at the (110) interface owes little to the localized d component and, therefore, is expected to be fairly relevant to transport properties. Co2 CrSi GaAs, Co2 MnSi GaAs, and Co2 MnGe GaAs heterostructures are also investigated, and similar half-metal-like behavior at (110) interface is observed for all of them.

Original languageEnglish
Article number104447
JournalPhysical Review B - Condensed Matter and Materials Physics
Issue number10
Publication statusPublished - 2006 Apr 7

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics


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