The structure of amorphous In x Se y alloys has been studied by a first principles tight-binding molecular dynamics technique. The three-dimensional amorphous structures with different densities at different compositions were prepared by quick quenching from the liquid phase. The characteristics of short-range order, namely radial distribution functions, coordination numbers, bond angle distribution functions, and the electronic structure have been analyzed. The local bonding environments of different In x Se y crystals were found to be present in the amorphous phase. The average coordination number of indium is mainly four, whereas selenium is mostly two- or threefold coordinated.
