Abstract
The exchange interaction parameters of Gd monopnictides are deduced from fitting the total energies of different magnetic configurations to those computed within the Heisenberg model. The magnetic structures predicted by first-principles calculations as well as the Curie (Néel) temperatures obtained from Monte Carlo simulations are both in good agreement with experiments. A detailed analysis of the exchange parameters suggests that the Ruderman-Kittel-Kasuya-Yosida-type indirect exchange interactions and antiferromagnetic superexchange interactions coexist in these compounds. The magnetic order changes from ferromagnetic in GdN to antiferromagnetic in other Gd pnictides as a result of the increased ionic radius of a pnictide in the latter.
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