Articles with "calculations sic" as a keyword



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First principle calculations with SIC correction of Fe-doped CuO compound

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Published in 2018 at "Computational Condensed Matter"

DOI: 10.1016/j.cocom.2018.e00304

Abstract: In this work the electronic properties of Fe doped CuO thin films are studied by using a standard density functional theory. This approach is based on the abinitio calculations under the Korringa Kohn Rostoker coherent… read more here.

Keywords: principle calculations; cuo; first principle; calculations sic ... See more keywords