Abstract
Recently, ferromagnetic zinc-blende Mn1−xCrxS thin films (above x = 0.5) were fabricated experimentally on ZnSe substrate, which confirmed the previous theoretical prediction of half-metallic ferromagnetism in zinc-blende CrS. Here, we theoretically reveal that both Cr- and S-terminated (001) surfaces of the CrS thin films retain the half-metallicity. The CrS/ZnSe(001) heterogeneous junction exhibits excellent spin filtering and spin diode effects, which are explained by the calculated band structure and transmission spectra. The perfect spin transport properties indicate the potential applications of half-metallic CrS in spintronic devices. All computational results are obtained by using the density functional theory combined with nonequilibrium Green's function.
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