Departmental Papers (MSE)
Document Type
Journal Article
Date of this Version
March 2007
Abstract
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.
COinS
Date Posted: 30 March 2007
This document has been peer reviewed.
Comments
Copyright American Physical Society. Reprinted from Physical Review Letters, Volume 98, Article 107601, 4 pages.
Publisher URL: http://dx.doi.org/10.1103/PhysRevLett.98.107601