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migration path denoted by the arrows. The intermediate stages, where the atom is in a planar configuration with surrounding As atoms 2, 4, and 5, and where the atom passes through the plane close to the interstitial site are also given, and bonds in these configurations are denoted with the thick dashed lines.
Migration energy barriers for Ga (a) and Mn (b) diffusion vs the lowest energy path (see Fig. 1) projection on the axis. The crosses correspond to lowest energy points from the calculation with no relaxation, while the circles indicate the saddle point energies from the calculation with relaxation. The lines are only to guide the eye.
Mn cluster concentration [cl] (lines; left axis) and percentage of Mn atoms included in clusters (points; right axis) as a function of annealing time for the Mn concentrations of 0.5% (a) and 5% (b); cluster portions for the Mn concentration of 5% as a function of time at temperatures of 250 (c) and (d).
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