Abstract
Molecular dynamics (MD) method and computer graphics (CG) were applied to understanding the structure and lattice constants of various perovskite-type composite metal oxides. The MD method with a simple diatomic potential function was found to be effective for reproducing the structure of perovskite-type metal oxides. It was also demonstrated that the calculated lattice constant agrees satisfactorily with experimental one for more than 20 kinds of multi-component perovskites.
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