Abstract
We propose a theory that combines first-principles evaluations of interatomic exchange interactions with a classical Heisenberg model and Monte Carlo simulations. Exchange interactions are determined using the magnetic force theorem and the one-electron Green functions. The magnetic properties of diluted magnetic semiconductors are dominated by short ranged interatomic exchange interactions that have a strong directional dependence. We show that critical temperatures of a broad range of diluted magnetic semiconductors, involving Mn-doped GaAs and GaN as well as Cr-doped ZnTe, are reproduced with a good accuracy only when the magnetic atoms are randomly positioned on the Ga (Zn) sites, whereas an ordered structure of the magnetic atoms results in critical temperatures that are too high. This suggests that the ordering of diluted magnetic semiconductors is heavily influenced by magnetic percolation, and that the measured critical temperatures should be very sensitive to details of the sample preparation, in agreement with observations.
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Kudrnovský, J., Bergqvist, L., Eriksson, O., Drchal, V., Turek, I., Bouzerar, G. Exchange Interactions and Magnetic Percolation in Diluted Magnetic Semiconductors. In: Donath, M., Nolting, W. (eds) Local-Moment Ferromagnets. Lecture Notes in Physics, vol 678. Springer, Berlin, Heidelberg. https://doi.org/10.1007/11417255_9
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