First-principles study of electronic and
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Z.J. Pan; L.T. Zhang; J.S. Wu
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Article
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2006
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Elsevier Science
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English
⚖ 247 KB
Electronic structure of -FeSi 2 and density of states (DOS) of subshells of Fe and Si were calculated, using the self-consistent full-potential linearized augmented plane wave method within the density functional theory. The general gradient approximation was used to treat the exchange and correlat