Abstract:The electronic, lattice, and magnetic properties of CoSb3, Cr-doped CoSb3, and related compound thin films were calculated by using the total energy pseudopotential method. A vacuum region and slab as a thin film were periodically repeated in the supercell. We considered three slab structures. One is symmetric, another is asymmetric, and the third is unusual. They are free-standing in the supercell. The magnetic moment of doped Cr atom is large in all Cr-doped cases. Magnetic moments of several Co atoms are en… Show more
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