Abstract
ELNES/XANES of BeO polymorphs were calculated using a plane wave pseudopotential method including the core-hole effects. A projector augmented wave method was employed to reconstruct the all-electron matrix elements. Calculated spectra of beryllium and oxygen K-edges were compared for BeO with wurtzite, zinc-blende and rocksalt structures. Characteristic features that can be used to spectroscopically characterize the different polymorphs have been provided from our theoretical analysis.
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