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• W1998996921 abstract "Abstract Electronic energies and spin-resolved electronic densities-of-states of BaSi 2 whose vacant space is occupied by magnetic elements (Mn, Fe, Co and Ni) are calculated using a first-principle pseudopotential method based on the density-functional theory with the generalized gradient approximations. Interstitial compounds of these magnetic elements and BaSi 2 will be energetically possible and interstitial occupancy of BaSi 2 by Fe and, especially, Co atoms will make the materials half-metallic in case the concentration of doped atoms is well controlled." @default.
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• W1998996921 date "2013-10-01" @default.
• W1998996921 modified "2023-09-28" @default.
• W1998996921 title "Possibility of spin-polarized electric current through Mn-, Fe-, Co-, or Ni-doped BaSi2 predicted by their calculated densities of states" @default.
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• W1998996921 doi "https://doi.org/10.1016/j.jmmm.2013.05.018" @default.
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