Excitons and optical properties of alpha-quartz
Journal Article
·
· Physical Review Letters
We present an ab initio study of the optical properties of alpa-quartz. The absorption spectrum is calculated by solving the Bethe-Salpeter equation for the interacting electron-hole system and found to be in excellent agreement with the measured spectrum up to 10 eV above the absorption threshold. We find that excitonic effects are crucial in understanding the sharp features in the absorption spectrum in this energy range. The are also crucial in the ab initio computation of the static dielectric constant, significantly enhancing its value.
- Research Organization:
- Ernest Orlando Lawrence Berkeley NationalLaboratory, Berkeley, CA (US)
- Sponsoring Organization:
- USDOE Director. Office of Science. Office of Basic EnergySciences. Materials Sciences Division; National Science Foundation GrantDMR-9520554; Deutsche forschungsgemeinschaft GrantRo-1318/2-1.
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 878111
- Report Number(s):
- LBNL--48747; BnR: KC0202030
- Journal Information:
- Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 12 Vol. 85; ISSN 0031-9007; ISSN PRLTAO
- Country of Publication:
- United States
- Language:
- English
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