Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1486274 | Journal of Non-Crystalline Solids | 2006 | 5 Pages |
Abstract
We have calculated the optical absorption (OA) bands of oxygen-deficient centers (ODC(I) type) in pure and germanium (Ge)-doped silica using the density functional theory-plane waves (DFT-PW) method connected to the Kubo–Greenwood formalism. A statistical approach is used in order to reproduce the complex nature of amorphous systems. This preliminary study shows that calculated locations of the OA bands of both Si-ODC and Ge-ODC accurately agree with experimental data in spite of the well-known underestimation of the gap of insulators using DFT.
Related Topics
Physical Sciences and Engineering
Materials Science
Ceramics and Composites
Authors
Y. Laudernet, N. Richard, S. Girard, L. Martin-Samos, A. Boukenter, Y. Ouerdane, J.-P. Meunier,