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In this study we present a theoretical investigation of the role thatferromagnetic plane (111) plays in the formation of magnetocrystallineanisotropy (MCA) effects in CoO and FeO monoxides. For this purpose, afirst-principles calculations of the electronic structure is performed withinthe GGA$+U$ approach. Based on the low-energy model in the Wannier functionsbasis, the MCA energy angular profile and the isotropic exchange environment ofthe transition metal atom are estimated using $\bf{k}$-dependent Green'sfunctions. We have revealed a clear regularity in the direction of the easy andhard axes in both systems as lying in the (111) plane or along [111]. While forCoO the easy / hard axis orientation is (111) / [111], for FeO it appearsreversed and thus emphasises the fundamental importance of (111) as thegeometrical driver of the magnetism in the crystals. The identification of thecontributions that individual sublattices make to the MCA energy allowed us toreveal the decisive role of the electron hopping mechanisms in easy axisorientation. Considering the MCA and exchange environment with orbitaldecomposition in CoO and FeO under directional pressure in the (111) plane andalong [111] showed a direct interrelation between the ferro- andantiferromagnetic contributions to the exchange environment and the energeticstability of the easy axis.

How ferromagnetic plane drives magnetocrystalline anisotropy in antiferromagnetic CoO and FeO