Manipulating magnetism of MnO nano-clusters by tuning the stoichiometry and charge state
Manipulating magnetism of MnO nano-clusters by tuning the stoichiometry and charge state
In this paper, we have studied the composition dependent evolution of geometric and magnetic structures of MnO clusters within density functional theory. The magnetic structures are determined by the competition between direct and superexchange interactions, which have been analyzed by the parameters obtained from maximally localized Wannier functions. The intrinsic …