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

H. Zenia, G. Banach, W. M. Temmerman, G. A. Gehring

cond-mat.str-elarXiv:cond-mat/0407558

Abstract

The electronic and magnetic properties of ferromagnetic doped manganites are investigated by means of model tight-binding and 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 eg orbitals at the surface. With 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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