Application of molecular dynamics techniques and luminescent probes to the study of glass structure: the SiO₂-GeO₂ case

C. Bernard (1) , S. Chaussedent (1) , A. Monteil (1) , N. Balu (1) , J. Obriot (1) , Claire Duverger-Arfuso (2) , M. Ferrari (3) , M. Bouazaoui (4) , C. Kinowski (5) , S. Turrell (5)

1 POMA - Propriétés Optiques des Matériaux et Applications
2 INFM - Dip. Fisica
3 CNR - CeFSA
4 PhLAM - Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523
5 LASIRE - Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516

In this paper, we report on the results obtained from molecular dynamic simulation of a Eu3+-doped germanosilicate glass. This simulation provides further information on the structure. In particular it reveals a homogeneous distribution of SiO4 and GeO4 units, a decrease of defects compared to SiO2 and GeO2 glasses, and a trend to clustering of the doping ions. Using the modified crystal-field theory, the luminescence spectroscopic properties have been computed and comparison with experimental data has allowed a correlation of the spectral features with two main types of local environment depending on the coordination number and on the medium-range arrangement around the doping ions.

C. Bernard, S. Chaussedent, A. Monteil, N. Balu, J. Obriot, et al.. Application of molecular dynamics techniques and luminescent probes to the study of glass structure: the SiO₂-GeO₂ case. Journal of Non-Crystalline Solids, 2001, 284, pp.68-72. ⟨10.1016/S0022-3093(01)00381-7⟩. ⟨hal-00279686⟩