The electronic structure of new rare earth half-metallic materials TmS

Based on first-principles density functional theory, we optimize geometry of rock salt type structure TmS. In this paper, it is calculated for magnetic properties, such as density of the spin polarization state and the magnetic moment of the ion, etc. Besides, the electronic structure of TmS is analyzed. The application prospect of TmS in Spintronics is also analyzed. From our study, the spin polarization of TmS is 100% at the Fermi level, which indicates it is probably high spin-polarized material. TmS exhibit a half-metallic characteristic, is suitable for spin injector. Its unit cell magnetic moment is 4.8 µB, that is mainly contributed by the Tm atom.