On the atomistic origin of the polymorphism and the dielectric physical properties of beryllium oxide
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DOI: 10.1002/jcc.27064
Abstract: Polymorphic beryllium oxide has been theoretically investigated from first principles as regards orbital occupancies, chemical bonding, polarization, as well as dielectric properties. By means of Crystal‐Orbital Bond Index (COBI) analysis, the important role of the… read more here.
Keywords: polymorphism dielectric; atomistic origin; beryllium oxide; origin polymorphism ... See more keywords