Ge. Murch et Iv. Belova, Kinetic theory of diffusion by vacancy pairs in mixed ionic compounds withthe CsCl structure, RADIAT EFF, 151(1-4), 1999, pp. 21-27
In this paper we adapt Manning's diffusion kinetics formalism for a random
alloy to vacancy pair diffusion in ionic crystals of the CsCl structure, fi
rst, we analyse the binary ionic crystal and show that the formalism gives
the component tracer correlation factors in closed form and with results in
very good agreement with Monte Carlo simulation results. Next, we analyse
quaternary mixed systems (two types of homovalent cation and two types of h
omovalent anion). Again the formalism gives all tracer correlation factors
inclosed form and the results are in very good agreement with those from Mo
nte Carlo simulation.