Structure of Ga-Sb-Se glasses by combination of 77Se NMR and neutron diffraction experiments with molecular dynamics [Structure des verres Ga-Sb-Se par combinaison d’expériences de RMN 77Se et de diffraction neutronique avec la dynamique moléculaire] Article - Décembre 2020

Eric Furet, Alicia Lecomte, David Le Coq, Fan Zeng, Laurent Cormier, Claire Roiland, Laurent Calvez

Eric Furet, Alicia Lecomte, David Le Coq, Fan Zeng, Laurent Cormier, Claire Roiland, Laurent Calvez, « Structure of Ga-Sb-Se glasses by combination of 77Se NMR and neutron diffraction experiments with molecular dynamics [Structure des verres Ga-Sb-Se par combinaison d’expériences de RMN 77Se et de diffraction neutronique avec la dynamique moléculaire]  », Journal of Non-Crystalline Solids, décembre 2020. ISSN 0022-3093

Abstract

This paper deals with the structural investigation of a new class of glasses belonging to the Ga-Sb-Se system. Neutron diffraction and 77 Se NMR were performed on the Ga 8 Sb 27 Se 65 glass composition to understand the structural network in this unconventional system. The experimental data were confronted to molecular dynamics simulations and show a good agreement. Detailed analyses are consistent with Ga and Se coordination numbers (CN) of 4 and 2, respectively, as usually obtained in chalcogenide glasses. This study also highlights a variable CN of Sb, ranging from 3 up to 5, allowing to better understand the formation of glasses in a such complex system.

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