Oxygen ion migration in orthorhombic LaMnO3-delta
With "spherical" potential parameters reported, the formation energy for an isolated oxygen vacancy converged to the same value when either the Mott-Littleton or the supercell approach was shown to be utilized. Using new interatomic potentials, that can reproduce the distored environment a...
| Principais autores: | , , , |
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| Formato: | Journal article |
| Idioma: | English |
| Publicado em: |
2003
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