Role of symmetry mismatch, charge transfer and low dimensionality in the magnetic order of CaMnO${}_3$/SrTiO${}_3$ ultrathin heterostructures

Abstract

By means of ab initio calculations, we study the effect of charge transfer and symmetry mismatch on the magnetic and electronic properties of CaMnO${}_3$ ultrathin films, epitaxially grown on SrTiO${}_3$ (001). We find that the interplay of these degrees of freedom, together with the low dimensionality and the strain imposed by the substrate, changes the bulk occupancy of the Mn e_$g$ orbitals, which determines the magnetic configuration of the ultrathin CMO films. A transition from an insulating G-type to a metallic A-type antiferromagnetic configuration is stabilized.

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