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The inverse spinels CoFe2O4 and NiFe2O4, which have been of particularinterest over the past few years as building blocks of artificial multiferroicheterostructures and as possible spin-filter materials, are investigated bymeans of density functional theory calculations. We address the effect ofepitaxial strain on the magneto-crystalline anisotropy and show that, inagreement with experimental observations, tensile strain favors perpendicularanisotropy, whereas compressive strain favors in-plane orientation of themagnetization. Our calculated magnetostriction constants $\lambda_{100}$ ofabout -220 ppm for CoFe2O4 and -45 ppm for NiFe2O4 agree well with availableexperimental data. We analyze the effect of different cation arrangements usedto represent the inverse spinel structure and show that both LSDA+U and GGA+Uallow for a good quantitative description of these materials. Our results openthe way for further computational investigations of spinel ferrites.

Epitaxial strain effects in the spinel ferrites CoFe2O4 and NiFe2O4 from first principles