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Department of Physics, Inha University, Incheon 402-751, Korea(Received 11 March 2015, Received in final form 3 April 2015, Accepted 7 April 2015)Recently, a first-principles study led to a prediction that quaternary Heusler compounds, CoFeCrZ (Z = Ga, Ge) are excellent half-metallic ferromagnets. In this study, we investigate the electronic and the magnetic properties at the (001) surfaces of CoFeCrGa andCoFeCrGe by means of the full-potential linearized augmented plane wave (FLAPW) method within generalized gradientapproximation. We considered two types of surface termination: CoFe-terminated and CrZ-terminated surfaces, Z being either Ga orGe. From the calculated total magnetic moments and the local density of states, we found that half-metallicity is not preserved for allthe surfaces. But the calculated atomic density of states showed that CrGa-terminated surface of the CoFeCrGa is almost half-metallic.The magnetic moment of the Co, Fe, or Cr atoms at the surface or subsurface layers in each system had very different values.Keywords: half-metallicity, surface magnetism, electronic structure

Half-metallicity and Magnetism at the (001) Surfaces of the Quaternary Heusler Alloys CoFeCrZ (Z = Ga, Ge): A First-principles Study