Raman Scattering, Thermal studies and Reverse Monte Carlo Simulations of an Amorphous Ge₃₀Se₇₀ Alloy Produced by Mechanical Alloying

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The short and intermediate range order of an amorphous Ge₃₀Se₇₀ alloy produced by Mechanical Alloying were studied by Reverse Monte Carlo simulations of its x-ray total structure factor, Raman scattering and differential scanning calorimetry. The simulations were used to compute the GRMCGe-Ge(r), GRMCGe-Se(r) and GRMCSe-Se(r) partial distribution functions and the SRMCGe-Ge(K), SRMCGe-Se(K) and SRMCSe-Se(K) partial structure factors. We calculated the coordination numbers and interatomic distances for the first and second neighbors and the bond-angle distribution functions Θijl(θ). The data obtained indicate that the structure of the alloy has important differences when compared to alloys prepared by other techniques. There are a high number of Se-Se pairs in the first shell, and some of the tetrahedral units formed seemed to be connected by Se-Se bridges.