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Design rules to achieve high-TC ferromagnetism in (Ga, Mn)As alloys

The Curie temperature TC of ferromagnetic semiconductor alloys depends not only on the alloy composition, but also on the spatial configuration of the magnetic impurities. Here we use a set of first-principle-calculated Curie temperatures to uncover—via a statistical, ‘data mining’ approach—the rules that govern the dependence of TC on the configuration of Mn substitutional impurities in GaAs. We find that TC is lowered (raised) when the average number of first (third and fourth) nearest-neighbour Mn pairs increases, suggesting simple atom-by-atom strategies to achieve high TC in (Ga, Mn)As alloys.