Electronic structure and bonding interactions in FeS2and FeP2
نویسندگان
چکیده
منابع مشابه
Bonding and Electronic Structure of Minerals
Minerals are crystalline solids, and their properties are governed by quantum mechanics. Density functional theory in the local density approximation or the generalized gradient approximation gives accurate predictions for energetic properties of closed shell systems, as well as ionic/covalent crystals, and open-shelled transition metals and transition metals oxides. The electronic structure an...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations of Crystallography
سال: 2011
ISSN: 0108-7673
DOI: 10.1107/s0108767311088684