Half-metallicity at ferromagnetic/antiferromagnetic interfaces in zincblende transition-metal chalcogenides: A full-potential linearized augmented plane-wave study within LDA+U

摘要

Electronic structures and half-metallicity at ferromagnetic/antiferromagnetic (AFM) interfaces in zincblende transition-metal chalcogenides, CrSe/MnSe and CrTe/MnTe, are investigated by means of the first principles full-potential linearized augmented plane-wave method within the LDA+ U, and the effect of correlation in the 3d states on the half-metallic interfaces is discussed. The uncompensated AFM interface with the antiparallel alignment of the Cr and Mn moments at the interfaces shows an excellent half-metallicity, where the correlation effect tends to manifest the half-metallic interfaces. This indicates that these interfaces offer a key ingredient as promising exchange bias candidates in having interfaces with 100 percent spin polarization at the Fermi level.