Exchange constants from first principles in CuO

First-principles study of magnetic interactions in cupric oxide.
Abdul-Muizz Pradipto, Rémi Maurice, Nathalie Guihéry, Coen de Graaf, and Ria Broer
Phys. Rev. B 85, 014409 (2012)

The unit cell of CuO and the two neighboring Cu-O layers in the ac planes. The light and dark gray balls represent oxygen and copper atoms, respectively. Top right: The clusters used in this wor