Copper coordination hypotheses and atomic arrangement in the glassy alloy Cu0.25As0.30Te0.45

Abstract

The radial atomic distribution of the amorphous alloy Cu0.25As0.30Te0.45 was studied, through the X-ray diffraction data supplied by samples obtained through quenching. The short-range order was determined by interpreting the radial distribution function (RDF), using a theoretical expression which takes into account the variation in the atomic scattering factors withs (the scattering vector module), and approximates them to polynomic functions. The tetracoordinated copper hypothesis, quoted in the literature for glassy alloys containing this element, was considered. The result of the study is that, for the alloy in question, the tetracoordinated copper hypothesis is compatible with the structural information that was experimentally obtained. A spatial atomic distribution model was generated according to this copper coordination, using the conveniently modified Monte Carlo random method. A comparative analysis of the main structural parameters of this model revealed their good agreement with the values given in the literature for similar alloys.