Reverse Monte Carlo modeling of amorphous structures in phase-change In0.21Sb0.79 thin film

The structures of phase-change In(0.21)Sb(0.79) thin film in the amorphous phase were modeled using the reverse Monte Carlo (RMC) method, making simultaneous use of measured x-ray diffraction and x-ray absorption fine structure data. The experimental data that we used do not contain the crystalline phase, which can be observed in the diffraction pattern. Three kinds of initial configurations--a simple cubic lattice, a rhombohedral A7 structure and a dense randomly packed hard sphere form--were used in attempts to reproduce the measured data. The former configuration is thought to be the most probable structure for the crystalline In(0.21)Sb(0.79) thin film. For the latter configuration we could not reproduce the structure of the amorphous In(0.21)Sb(0.79) thin film under the present RMC conditions. We obtained probable structure models for the amorphous In(0.21)Sb(0.79) thin film. We found that the models obtained possess some traces of crystallinity.