| 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 |
| Research Areas: |
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