Structural properties of various sodium thiogermanate glasses through DFT-based molecular dynamics simulations

Sebastien Blaineau (1) , Philippe Jund (1)

1 ICGM ICMMM - Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier

We present a study of the structural properties of (x)Na2S-(1−x)GeS2 glasses through density-functionaltheory- based molecular dynamics simulations, at different sodium concentrations (0

Domaines: Matériaux; Systèmes désordonnés et réseaux de neurones [cond-mat.dis-nn]; Modélisation et simulation

Sebastien Blaineau, Philippe Jund. Structural properties of various sodium thiogermanate glasses through DFT-based molecular dynamics simulations. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2006, pp.054203. ⟨10.1103/PhysRevB.74.054203⟩. ⟨hal-00583914⟩