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Combining GGA-plane wave approach as implemented into the VASP - 4.6.19computer code with a slab model, we studied in detail the atomic and electronicstructure of the LaMnO3 surfaces, in both cubic and orthorhombic phases. Theresults obtained are compared with similar studies for other ABO3-perovskites.

The first principles calculations of the atomic and electronic structure of cubic and orthorhombic LaMnO3 surfaces