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Publication Citation: Optical to UV spectra and birefringence of SiO2 and TiO2:  first-principles calculations with excitonic effects

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Author(s): H M. Lawler; J J. Rehr; F Vila; SD Dalosto; Eric L. Shirley; Zachary H. Levine;
Title: Optical to UV spectra and birefringence of SiO2 and TiO2:  first-principles calculations with excitonic effects
Published: January 01, 2008
Abstract: A first-principles approach is presented for calculations of optical to ultraviolet spectra including excitonic effects.  The approach is based on the Bethe-Salpeter equation calculations using the NBSE code combined with ABINIT.  The approach is illustrated with calculations of the optical spectra and birefringence of alpha-phase SiO2 and the rutile and anatase phases of TiO2.
Citation: Physical Review B (Condensed Matter and Materials Physics)
Pages: 1 pp.
Keywords: Bethe-Salpeter calculation ; rutile ; anatase ; quartz ; birefringence
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