Abstract
Using a density functional method with explicit account for strong Coulomb repulsion within the 4 f shell, we calculate effective exchange parameters and the corresponding ordering temperatures of the (ferro)magnetic insulating Eu monochalcogenides (EuX; X = O, S, Se, Te) at ambient and elevated pressure conditions. Our results provide quantitative account of the many-fold increase of the Curie temperatures with applied pressure and reproduce well the decrease of ferromagnetic coupling across the EuO–EuTe series. The first J 1 and second J 2 neighbor effective exchange are found to follow different pressure dependencies. Finally, our calculations show explicitly that the mixing of Eu 4 f orbitals with the ligand states is necessary for the ferromagnetic ordering to take place at any pressure.
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