Molecular dynamics study of V<inf>2</inf>O<inf>5</inf> glass

Structure of V2O5 glass has been simulated by constant volume molecular dynamics technique. It was found that the glass is made up of a mixture of corner sharing VO4, VO5 and VO6 polyhedra with VO5 dominating the matrix, having a 75% share of the total. Angular distribution of O-V-O bond angle shows VO4 to be a tetrahedron, VO5 to be square pyramidal and VO6 to be an octahedron. Extensive bridging amongst the VOn polyhedra in all directions is observed. © 1997 Elsevier Science Ltd.