Electronic structure, magnetism, and half-metallicity of CrAs(110)

摘要

Half-metallic materials, which have complete spin-polarization at Fermi energy, attracted much attention for their useful applications to spintronics. Since the zinc-blende (ZB) CrAs was predicted to be half-metallic by first-principles calculation and was successfully fabricated on GaAs [1], the ZB half-metals have been getting more attraction because they have large magnetic moment, high T{sub}c, and coherent matching with ZB semiconductor. For practical applications to spin-injection devices, the surface property is important. For the CrAs(001) surfaces, it was calculated that the Cr-terminated surface keeps the half-metallicity while the half-metallicity is destroyed for the As-terminated surface due to surface states [2]. In this study, we investigated the magnetism and half-metallicity for the CrAs(110) surface in which both the Cr and As atoms exists, by using the all-electron full-potential linearized augmented plane wave (FLAPW) method [3].