Electronic and magnetic properties of the (001) surface of hole-doped manganites

Details Electronic and magnetic properties of the (001) surface of hole-doped manganites Electronic and magnetic properties of the (001) surface of hole-doped manganites

2004-07-21

arxiv.org/abs/cond-mat/0407558v1

Physics

Condensed Matter

Strongly Correlated Electrons

7 pages, 5 figures

Scientific paper

10.1103/PhysRevB.71.024416

The electronic and magnetic properties of ferromagnetic doped manganites are investigated by means of model tight-binding and \textit{ab initio} self-interaction corrected local spin density approximation calculations. It is found that the surface alone by breaking the cubic symmetry induces a difference in the occupation of the two $e_{g}$ orbitals at the surface. With \textit{ab initio} calculations we found surface localisation of one orbital and hence a change in the Mn valency from four in the bulk to three at the sub-surface. Different surface or disordered interface induced localisation of the orbitals are considered too with respect to the nature and the strength of the magnetic exchange coupling between the surface/interface and the bulk-like region.

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