Role of symmetry mismatch, charge transfer and low dimensionality in the magnetic order of CaMnO 3 /SrTiO 3 ultrathin heterostructures

BARRAL, M. A.; LLOIS, A. M.; DI NAPOLI, S.

AIP Advances

AIP

Lugar: San Diego; Año: 2021 vol. 11

By means of ab initio calculations, we study the effect of charge transfer and symmetry mismatch on the magnetic and electronic propertiesof CaMnO 3 ultrathin films, epitaxially grown on SrTiO 3 (001). We find that the interplay of these degrees of freedom, together with the lowdimensionality and the strain imposed by the substrate, changes the bulk occupancy of the Mn e g orbitals, which determines the magneticconfiguration of the ultrathin CMO films. A transition from an insulating G-type to a metallic A-type antiferromagnetic configuration isstabilized.