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Proceedings Paper

First-principles ultraviolet and x-ray spectra over broad ranges
Author(s): Eric L. Shirley; J. A. Soininen; J. J. Rehr
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Paper Abstract

We discuss a first-principles method to compute electronic optical excitation spectra of solids over energy ranges varying from 20 eV to 70 eV. We discuss the principal components of the method that is used, which centers around solving the coupled electron-hole Bethe-Salpeter equation. Results are presented for the 1s edge of Si in silicon and F in LiF, as well as valence excitation spectra of BeO and MgO. We conclude by noting areas for future improvement.

Paper Details

Date Published: 14 October 2004
PDF: 13 pages
Proc. SPIE 5538, Optical Constants of Materials for UV to X-Ray Wavelengths, (14 October 2004); doi: 10.1117/12.564301
Show Author Affiliations
Eric L. Shirley, National Institute of Standards and Technology (United States)
J. A. Soininen, Univ. of Helsinki (Finland)
J. J. Rehr, Univ. of Washington (United States)

Published in SPIE Proceedings Vol. 5538:
Optical Constants of Materials for UV to X-Ray Wavelengths
Regina Soufli; John F. Seely, Editor(s)

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