The half-metallicity of (1Â 1Â 1) surface and (1Â 1Â 1) interface for Heusler alloy Co2MnGe thin film

To investigate the electronic and magnetic properties of Co2MnGe thin film, we simulate four (1 1 1) surfaces of Co2MnGe and its eight (1 1 1) interfaces with GaAs by means of the first principles calculations. According to the calculated density of states, there are two surfaces exhibiting the half-metallic character among considered four surfaces. More importantly, this kind of half-metallicity also exists in some interfaces of Co2MnGe/GaAs. The results on the (1 1 1) surfaces of Co2MnGe and its (1 1 1) interfaces with GaAs would be helpful for the practical applications of spintronic devices with superior performance.