HAL (France)
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Modeling of magnetic properties of A 2 BB′O 6 compounds using ab initio and Monte Carlo methods
Abstract Ab initio and Monte Carlo simulations are employed to estimate isotropic exchange interactions and Curie temperature of A 2 BB′O 6 oxides (A alkaline‐earth metal or transition metal and B, B′ transition metals). The dominant (B–B') interactions are antiferromagnetic (AFM) between the first
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