Noncubic behavior of antiferromagnetic transition-metal monoxides with the rocksalt structure

We give evidence that some nonmagnetic (i.e., spin-integrated) properties of the antiferromagnetic Late transition-metal monoxides (MnO, FeO, CoO, NiO) are substantially noncubic below the Neel temperature even when assuming the ideal rocksalt structure for the ions. Our findings, which are at variance with the currently accepted picture, are based on ab initio and model calculations for the case study of MnO. The calculated zone-center optic phonon frequencies and Born effective charge tensor of this material show a significant magnetic-induced anisotropy.