We study the exchange interactions in half-metallic Heusler alloys using first-principles calculations in conjunction with the frozen-magnon approximation. The Curie temperature is estimated within both mean-field (MF) and random-phase-approximation (RPA) approaches. For the halfHeusler alloys NiMnSb and CoMnSb the dominant interaction is between the nearest Mn atoms. In this case the MF and RPA estimations differ strongly. The RPA approach provides better agreement with experiment. The exchange interactions are more complex in the case of full-Heusler alloys Co2MnSi and Co2CrAl where the dominant effects are the inter-sublattice interactions between the Mn(Cr) and Co atoms and between Co atoms at different sublattices. For these compounds we find that both MF and RPA give very close values of the Curie temperature slightly underestimating experimental quantities. We study the influence of the lattice compression on the magnetic properties. The temperature dependence of the magnetization is calculated using the RPA method within both quantum mechanical and classical approaches.
We use the local density approximation (LDA) and LDA+U schemes to study the magnetism of (GaMn)As and (GaMn)N for a number of Mn concentrations and varying number of holes. We show that for both systems and both calculational schemes the presence of holes is crucial for establishing ferromagnetism. For both systems, the introduction of U increases delocalization of the holes and, simultaneously, decreases the p-d interaction. Since these two trends exert opposite influences on the Mn-Mn exchange interaction the character of the variation of the Curie temperature (TC ) cannot be predicted without direct calculation. We show that the variation of TC is different for two systems. For low Mn concentrations we obtain the tendency to increasing TC in the case of (GaMn)N whereas an opposite tendency to decreasing TC is obtained for (GaMn)As. We reveal the origin of this difference by inspecting the properties of the densities of states and holes for both systems. The main body of calculations is performed within a supercell approach. The Curie temperatures calculated within the coherent potential approximation to atomic disorder are reported for comparison. Both approaches give similar qualitative behavior. The results of calculations are related to the experimental data.
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