Starting with a random or ordered distribution of 0.8, 1.6, 3.7 or 12.5% dopants over the lattice sites of a simple cubic grid, an estimate was made of the fraction of unclustered dopants following pulsed laser processing of various host/dopant systems. Initial clustering events were simulated using a greedy algorithm 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 clustering kinetics. In particular, transition-metal doped Si and GaAs following pulsed laser annealing 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