
pmid: 9983987
The partial p- and d-electron densities of states (DOS's) in the valence band of \ensuremath{\beta}-${\mathrm{ZrF}}_{4}$ were experimentally profiled through recording its Zr ${\mathit{M}}_{\mathrm{I}\mathrm{V},\mathrm{V}}$ and Zr ${\mathit{L}}_{\mathrm{II}}$ emission bands (spectra) by the x-ray spectrometer of an electron probe apparatus. Ab initio calculations were performed to determine the concentrations of individual F- and Zr-atom symmetry groups to the DOS and the number of states. The DOS maxima positions were found to correlate well with the measured peaks of the two bands. \textcopyright{} 1996 The American Physical Society.
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