Structure of Ga-Sb-Se glasses by combination of 77Se NMR and neutron diffraction experiments with molecular dynamics

Abstract This paper deals with the structural investigation of a new class of glasses belonging to the Ga-Sb-Se system. Neutron diffraction and 77Se NMR were performed on the Ga8Sb27Se65 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.