Structure analysis of ZnO-TeO2 glasses by means of neutron diffraction and molecular dynamics

Structures of x ZnO-(1-x)TeO2 glasses (x = 0.1, 0.2, 0.3) were investigated by means of neutron diffraction and molecular dynamics. Modified Keating three-body potential and imaginary negative point charge were applied to the simulation, which successfully represented complex structure units in tellurite glasses. It was concluded that TeO3+1 was a dominant component in the network structure of the zinc tellurite glasses. The fraction of the TeO3+1 unit was almost independent of the amount of ZnO. Zinc atoms are considered to play a role in network formation in the glasses, which was estimated on the basis of the coordination state of tellurium.