Excitons and optical properties of alpha-quartz
We present an ab initio study of the optical properties of alpha-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. They are also crucial in the ab initio computation of the static dielectric constant, significantly enhancing its value.
Chang
EK
Department of Physics, University of California at Berkeley, Berkeley, California 94720 and and Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA.
Rohlfing
M
Louie
SG