Simulation of the physical properties of the chalcogenide glass As${}_2$S${}_3$ using a density-functional-based tight-binding method

S. I. Simdyankin, S. R. Elliott, Z. Hajnal +2

We have used a density-functional-based tight-binding method in order to create structural models of the canonical chalcogenide glass, amorphous (a-)As${}_2$S${}_3$. The models range f…