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- W1971291052 abstract "The electronic structures of crystalline and amorphous Si${mathrm{O}}_{2}$ are examined via the tight-binding method. A new tight-binding Hamiltonian, fit to experiment and to the pseudopotential band structure of $ensuremath{alpha}$ quartz, is used to calculate densities of states for both $ensuremath{alpha}$ quartz and an Si${mathrm{O}}_{2}$ Bethe lattice. These are shown to compare favorably with x-ray photoemission spectra of $ensuremath{alpha}$ quartz and amorphous Si${mathrm{O}}_{2}$. The computational results are analyzed qualitatively using the bond-orbital approach. For both crystalline and amorphous Si${mathrm{O}}_{2}$ it is suggested that oxygen $2s$ character in the lower conduction bands may be necessary to account for the large gap. Local symmetries of the lone-pair-like bands of possible relevance to the optical properties are discussed." @default.
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- W1971291052 date "1979-12-15" @default.
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- W1971291052 title "Bulk electronic structure of SiO2" @default.
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- W1971291052 doi "https://doi.org/10.1103/physrevb.20.5228" @default.
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