Abstract
A theoretical investigation of the energetics of In and Al incorporation in GaN is carried out. By considering pairs and triplets of substitutional atoms in various configurations, we have determined whether there is an energetic driving force for ordering or clustering to take place. Using a quantum approach it is shown that the binding energy is negative for pairs of indium substitutionals in nearest neighbour configurations and positive for non nearest neighbour configurations. This implies a preference for indium to order within the GaN lattice. Aluminium pairs, in contrast, have a near zero binding energy for all configurations which implies that the incorporation of aluminium should be random.
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