We present first-principles results for the electronic, magnetic, and optical properties of the heterostructure as obtained by spin-polarized calculations using density functional theory. The electronic states of the heterostructure are compared to those of the bulk compounds. Structural relaxation turns out to have only a minor impact on the chemical bonding, even though the oxygen octahedra in develop some distortions due to the interface strain. While a small charge transfer affects the heterointerfaces, our results demonstrate that the half-metallic character of is fully maintained. © EPLA, 2013.
Bibliographical noteKAUST Repository Item: Exported on 2020-10-01
Acknowledgements: Financial support by the Deutsche Forschungsgemeinschaft (TRR 80) is gratefully acknowledged.
ASJC Scopus subject areas
- General Physics and Astronomy