Publication Date:
2016-10-20
Description:
Author(s): Y. Qi, S. Liu, I. Grinberg, and A. M. Rappe Barium titanate ( BaTiO 3 ) is a prototypical ferroelectric perovskite that undergoes the rhombohedral-orthorhombic-tetragonal-cubic phase transitions as the temperature increases. In this paper, we develop a classical interatomic potential for BaTiO 3 within the framework of the bond-valence theory. Th… [Phys. Rev. B 94, 134308] Published Wed Oct 19, 2016
Keywords:
Dynamics, dynamical systems, lattice effects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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