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

• Published in: Journal of non-crystalline solids Vol. 284; no. 1-3; pp. 68 - 72
• Main Authors: BERNARD, C, CHAUSSEDENT, S, MONTEIL, A, BALU, N, OBRIOT, J, DUVERGER, C, FERRARI, M, BOUAZAOUI, M, KINOWSKI, C, TURRELL, S
• Format: Conference Proceeding Journal Article
• Language: English
• Published: Amsterdam Elsevier 01.05.2001
• Subjects: Amorphous semiconductors; glasses; Amorphous semiconductors; glasses; nanocrystalline materials; Condensed matter: electronic structure, electrical, magnetic, and optical properties; Condensed matter: structure, mechanical and thermal properties; Disordered solids; Exact sciences and technology; Glasses; Optical properties and condensed-matter spectroscopy and other interactions of matter with particles and radiation; Optical properties of specific thin films; Other solid inorganic materials; Photoluminescence; Physics; Structure of solids and liquids; crystallography; Inorganic compounds; Ternary compounds; Doping; Luminescence; Theoretical study; Binary systems; Crystal field; Europium additions; Silicon oxides; Molecular dynamics calculations; Property structure relationship; Germanium oxides; Amorphous state structure
• ISSN: 0022-3093; 1873-4812
• DOI: 10.1016/S0022-3093(01)00381-7

Authors report on the results obtained from molecular dynamic simulation of a Eu3+-doped germanosilicate glass. This simulation provides further information on the structure. 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. 7 refs.