An ab initio study of magnetic exchange interactions in antiferromagnetic and strongly correlated 3d transition metal monoxides is presented. Their electronic structure is calculated using the local self-interaction correction approach, implemented within the Korringa-Kohn-Rostoker band structure method, which is based on multiple scattering theory. The Heisenberg exchange constants are evaluated with the magnetic force theorem. Based on these the corresponding Neel temperatures T_N and spin wave dispersions are calculated. The Neel temperatures are obtained using mean field approximation, random phase approximation and Monte Carlo simulations. The pressure dependence of T_N is investigated using exchange constants calculated for different lattice constants. All the calculated results are compared to experimental data.
@article{arxiv.0905.0391,
title = {Exchange coupling in transition metal monoxides: Electronic structure calculations},
author = {Guntram Fischer and Markus Däne and Arthur Ernst and Patrick Bruno and Martin Lüders and Zdzislawa Szotek and Walter Temmerman and Wolfram Hergert},
journal= {arXiv preprint arXiv:0905.0391},
year = {2011}
}