Starting from a random or ordered distribution of 0.8, 1.6, 3.7 and 12.5% dopants over the lattice sites of a simple cubic grid, the fraction of unclustered dopants after pulsed laser processing of different host:dopant systems was estimated. Initial clustering events were simulated with a greedy algorithm implemented in a Monte Carlo study. The greedy algorithm gave adequate results for dopants with low diffusivity and low solubility. The absolute initial dopant concentration and de-clustering strongly influenced the kinetics of clustering. In particular, transition metal doped Si and GaAs after pulsed laser annealing, which were of interest for spintronics applications, were considered. An uncritical integral diffusion of Mn in GaAs:Mn and a tendency of Mn to form silicides in Si:Mn were simulated. These results were in good agreement with experimental observations.

Transition Metal Diffusion in Diluted Magnetic Si and GaAs Prepared by Pulsed Laser Processing. D.Bürger, M.Seeger, S.Zhou, W.Skorupa, H.Schmidt: Journal of Applied Physics, 2012, 111[5], 054914