Abstract

Magnetic rare-earth orthoferrite perovskites ($R$FeO${}_{3})$ host a variety of functional properties particularly suitable for next-generation, ultrafast spintronic devices. A key ingredient is the complex magnetic interaction at play between the two magnetic substructures. SmFeO${}_{3}$ has attracted particular interest because of its high-temperature spin reorientation transition and anomalous temperature-dependent lattice vibrational modes. Through first-principles calculations, the authors unveil here the interplay of the Sm-Fe exchange with the strong Sm $f$ anisotropy as the dominant microscopic mechanism, and the nature of the anomalous vibrations.

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