Abstract
Theoretical ab initio and experimental methods are used to investigate the solid solution. We find that hybridization between Zn and and O orbitals allows the formation of short, covalent Zn-O bonds, enabling favorable coupling between -site and -site displacements. This leads to unusually large polarization, strong tetragonality, and an elevated ferroelectric to paraelectric phase transition temperature.
- Received 31 March 2006
DOI:https://doi.org/10.1103/PhysRevLett.98.107601
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