On the interpretation of X-ray spectra of amorphous and crystalline SiO2

Cherlov, G.B.; Freidman, S. P.; Kurmaev, E.Z.; Viech, G.; Gubanov, V. A.

doi:10.1016/s0022-3093(87)80298-3

Cited by 8 publications

(1 citation statement)

References 11 publications

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“…Quartz (α-SiO 2 ) is an interesting insulator material with a wide range of applications such as in optoelectronics, high precision scale time bases, and metal oxide semiconductor devices. Recently, its valence band has been extensively studied both theoretically and experimentally by using photoelectron spectra (x-ray (XPS) or ultraviolet (UPS)) and x-ray emission spectra (XES) [1][2][3][4][5][6][7][8][9][10][11]. However, its conduction band structure and the unoccupied density of states (DOS) are not very well understood mainly due to theoretical limitations and experimental difficulties in the soft-x-ray region.…”

Section: Introductionmentioning

confidence: 99%

Electronic structure analysis of via x-ray absorption near-edge structure at the Si K, and O K edges

Zhang

Jollet

Seifert

1998

J. Phys.: Condens. Matter

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The electronic structure of empty states in quartz has been investigated by calculating the individual contributions of Si 1s, 2p and O 1s to the x-ray absorption near-edge structure (XANES) spectra; excellent agreement has been found between the experimental data and full multiple-scattering calculations. On the basis of the comparison, the origins of the spectral transition features can be assigned unambiguously. Although symmetry-based molecular-orbital theory is qualitatively adequate for describing these spectra, the interpretation of the Si K-edge XANES spectrum exclusively in terms of a ground-state potential is inappropriate in general.

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