Silicon diffusion in molybdenum disilicide: correlation effects

Abstract

Correlation factors for silicon diffusion by a vacancy mechanism in the silicon sublattice of the tetragonal MoSi2 structure have been calculated by combining an analytical and a Monte Carlo approach. The ratio of the silicon diffusivity perpendicular to the tetragonal axis to that parallel to the tetragonal axis is also deduced. An effect of forward correlation of tracer atom jumps in the silicon sublattice with the corresponding partial correlation factor of 1.5 appears at small frequencies of silicon atom jumps along the tetragonal axis with respect to the jump frequencies in the silicon layer perpendicular to the tetragonal axis of the MoSi2 structure. The anisotropy of silicon diffusion in MoSi2 measured by Salamon et al. is explained in terms of correlation effects of silicon diffusion on its own sublattice.