Physical properties of a GeS 2 glass using approximate ab initio molecular dynamics

  title={Physical properties of a GeS 2 glass using approximate ab initio molecular dynamics},
  author={S'ebastien Blaineau and Philippe Jund and David Alan Drabold},
  journal={Physical Review B},
With the use of ab initio based molecular dynamics simulations we study the structural, dynamical and electronic properties of glassy g-GeS 2 at room temperature. From the radial distribution function we find nearest neighbor distances almost identical to the experimental values and the static structure factor is close to its experimental counterpart. From the Ge-S-Ge bond angle distribution we obtain the correct distribution of corner and edge-sharing GeS 4 tetrahedra. Concerning the dynamical… 

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