Correlation‐induced magnetic order and magnetic phenomena in transition‐metal δ‐doped cubic ZnO

Abstract The properties of transition‐metal (V, Cr, Mn, Fe, Co, Ni) δ‐doped ZnO are reported based on ab‐initio electronic structure calculations where the on‐site electronic correlations are included using the Hubbard parameters. The calculated electronic and magnetic properties are considerably altered with respect to usual band‐structure calculations. Most of the studied systems are found to be either half‐metals or ferromagnetic/antiferromagnetic semiconductors and thus can be employed in a variety of spintronic applications as spin‐filter materials. magnified image Schematic representation of the structural and magnetic order of an impurity (001) monolayer in cubic ZnO structures. (© 2014 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)