(1) Département de Chimie, Université de Fribourg, Chemin du Musée 09, 1700 Fribourg, Switzerland;(2) Departement de Technologie, Université de Mascara, Route de Mamounia, 22000 Mascara, Algeria
Abstract:
We present first-principles calculations for the
optical properties of germanium dioxide in the rutile structure.
The electronic band structure has been calculated
self-consistently within the local density approximation using the
full-potential linearized augmented plane wave method. The
electronic band structure shows that the fundamental energy gap is
direct at the center of the Brillouin zone. The determinant role
of a band structure computation with respect to the analysis of
the optical properties is discussed.