52 citations · 131 across the 5 of their papers we have counts for
5 papers
Structural properties of various sodium thiogermanate glasses through DFT-based molecular dynamics simulations
Sebastien Blaineau, Philippe Jund
We present a study of the structural properties of (x)NaS-(1-x)GeS glasses through DFT-based molecular dynamics simulations, at different sodium concentrations ().…
Calculated vibrational and electronic properties of various sodium thiogermanate glasses
Sébastien Blaineau, Philippe Jund
We study the vibrational and electronic properties of (x)NaS-(1-x)GeS glasses through DFT-based molecular dynamics simulations, at different sodium concentrations ($0<x<0.5…
Electronic structure of amorphous germanium disulfide via density functional molecular dynamics simulations
Sebastien Blaineau, Philippe Jund
Using density functional molecular dynamics simulations we study the electronic properties of glassy g-GeS. We compute the electronic density of states, which compares very wel…
Vibrational signature of broken chemical order in a GeS2 glass: a molecular dynamics simulation
Sébastien Blaineau, Philippe Jund
Using density functional molecular dynamics simulations, we analyze the broken chemical order in a GeS glass and its impact on the dynamical properties of the glass through the…
Physical properties of a GeS2 glass using approximate ab initio molecular dynamics
Sebastien Blaineau, Philippe Jund, David A. Drabold
With the use of {\em ab initio} based molecular dynamics simulations we study the structural, dynamical and electronic properties of glassy g-GeS at room temperature. From the…