First-principles ultraviolet and x-ray spectra over broad ranges

Eric L. Shirley; J. A. Soininen; J. J. Rehr

doi:10.1117/12.564301

14 October 2004 First-principles ultraviolet and x-ray spectra over broad ranges

Eric L. Shirley, J. A. Soininen, J. J. Rehr

Proceedings Volume 5538, Optical Constants of Materials for UV to X-Ray Wavelengths; (2004) https://doi.org/10.1117/12.564301
Event: Optical Science and Technology, the SPIE 49th Annual Meeting, 2004, Denver, Colorado, United States

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.

Citation Download Citation

Eric L. Shirley, J. A. Soininen, and J. J. Rehr "First-principles ultraviolet and x-ray spectra over broad ranges", Proc. SPIE 5538, Optical Constants of Materials for UV to X-Ray Wavelengths, (14 October 2004); https://doi.org/10.1117/12.564301

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