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• W2046376468 abstract "The electronic properties of silicon dioxide at zero pressure are investigated by means of full-potential linearized augmented-plane-wave calculations and of x-ray and ultraviolet photoemission spectroscopies. The comparison between our theoretical and experimental results regarding the valence band structure of α-quartz (the crystalline polymorph of silica stable at normal conditions) shows that the main features at lower binding energies (mainly the O 2p bonding and nonbonding states) are well reproduced, while the binding energy of the O 2s semicore states is underestimated by theory, due to local-density approximation. In addition, photoemission measurements on amorphous SiO2 show that the overall structure of the valence band is very similar to that of the ordered phase. Nevertheless, some minor features are observed in α-quartz spectra, due to long-range order of the crystalline structure." @default.
• W2046376468 created "2016-06-24" @default.
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• W2046376468 date "1995-08-01" @default.
• W2046376468 modified "2023-10-18" @default.
• W2046376468 title "Electronic properties of crystalline and amorphous SiO2 investigated via all-electron calculations and photoemission spectroscopy" @default.
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• W2046376468 doi "https://doi.org/10.1016/0038-1098(95)00266-9" @default.
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