https://doi.org/10.1140/epjb/e2005-00219-y
Optical properties of germanium dioxide in the rutile structure
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
Corresponding author: a mohammed.sahnoun@unifr.ch
Received:
22
February
2005
Published online:
13
July
2005
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.
PACS: 71.15.Ap – Basis sets (LCAO, plane-wave, APW, etc.) and related methodology (scattering methods, ASA, linearized methods, etc.) / 74.25.Jb – Electronic structure / 74.25.Gz – Optical properties
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2005
