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

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

2008-07-11

arxiv.org/abs/0807.1864v1

Physics

Condensed Matter

Materials Science

Scientific paper

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

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