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Structural Modeling Based on the Oxygen Sublattice Features in the Perovskite Family

  • L. E. Depero (a1), L. Sangaletti (a1), F. Parmigiani (a2), E. Giulotto (a3) and L. Rollandi (a3)...

Abstract

A new approach based on the study of distortion in the AO3 layer of ABO3 perovskites is proposed with the aim to discuss their ferroelectric properties. Rhombohedral distortions exist for either A-O average distances shorter than 2.7 A (space group Nr.161) or A-O distances larger than 3 Å (space group Nr.160). In the case of small distortions tetragonal or orthorhombic symmetries are preferred. Moreover, a relationship between the dimension of the B cation and the distortion in this type of structure has been established. Preliminary results show interesting correlations between distortions in the AO3 plane and the critical temperature of ferroelectric materials.

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Structural Modeling Based on the Oxygen Sublattice Features in the Perovskite Family

  • L. E. Depero (a1), L. Sangaletti (a1), F. Parmigiani (a2), E. Giulotto (a3) and L. Rollandi (a3)...

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