Abstract

Band structures and dielectric functions are calculated using density-functional theory and local-density approximation for three $\ensuremath{\beta}$-cristobalite modifications of ${\mathrm{SiO}}_{2}$ with space-group symmetries $\mathrm{Fd}3m,$ $I4\ifmmode\bar\else\textasciimacron\fi{}2d,$ and ${P2}_{1}3.$ Quasiparticle corrections for the Kohn-Sham eigenvalues are determined in a GW approach. The fundamental energy gaps, absorption onsets, and dielectric functions are discussed and compared in the light of experimental data and previous calculations.

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