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Theoretical ab initio and experimental methods are used to investigate the [Bi(Zn1/2Ti1/2)O3]x [PbTiO3]1-x solid solution. We find that hybridization between Zn 4s and 4p and O 2p orbitals allows the formation of short, covalent Zn-O bonds, enabling favorable coupling between A-site and B-site displacements. This leads to unusually large polarization, strong tetragonality, and an elevated ferroelectric to paraelectric phase transition temperature.
Grinberg, I., Suchomel, M. R., Dmowski, W., Mason, S. E., Wu, H., Davies, P. K., & Rappe, A. M. (2007). Structure and Polarization in the High Tc Ferroelectric Bi(Zn,Ti)O3-PbTiO3 Solid Solutions. Retrieved from https://repository.upenn.edu/mse_papers/123
Date Posted: 30 March 2007
This document has been peer reviewed.