Chemical and Topological Short Range Order of Amorphous Ti-Si Alloys

Abstract

Abstract Amorphous Ti100 - xSix alloys (13<x<60) were produced by sputtering. Their partial structure factors were determined by X-ray and neutron diffraction. The Bhatia-Thornton density-concentration correlation function GNC(R) was calculated by a cluster relaxation model. Three-dimensional atomic clusters were produced by the Reverse Monte Carlo method. These clusters were analyzed in terms of trigonal prismatic arrangements as a structural unit. In amorphous Ti75Si25 and Ti87Si13 those Si-atoms which are surrounded by 9 Ti-atoms in the first coordination shell prefer trigonal prismatic arrangements. In the atomic clusters of amorphous Ti59Si41, Ti49Si51, and Ti40Si60, however, no preference of trigonal prisms was found.