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The electronic band structures, density of states (DOS) and the magnetic moments have been compared and analyzed to propose the half-metal ferromagnetic nature of NiTbSb. For this, density functional theory based full potential linearized augmented plane wave method has been used. DOS and band structure results show that 3d states of Ni and 4f states of Tb atoms overlap each other throughout the Ni-3...
The electronic properties of beryllium chalcogenides namely, BeS, BeSe and BeTe have been investigated theoretically using the full potential-linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT). The exchange correlation effects have been treated in the generalized gradient approximation (GGA). The results so obtained were compared with the experimental and the theoretical...
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