Structure and Polarization in the High Tc Ferroelectric Bi(Zn,Ti)O3PbTiO3 Solid Solutions

Ilya Grinberg, Matthew R. Suchomel, Wojtek Dmowski, Sara E. Mason, Hui Wu, Peter K. Davies, and Andrew M. Rappe
Phys. Rev. Lett. 98, 107601 – Published 5 March 2007
PDFHTMLExport Citation

Abstract

Theoretical ab initio and experimental methods are used to investigate the [Bi(Zn1/2Ti1/2)O3]x[PbTiO3]1x 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.

  • Figure
  • Figure
  • Received 31 March 2006

DOI:https://doi.org/10.1103/PhysRevLett.98.107601

©2007 American Physical Society

Authors & Affiliations

Ilya Grinberg1, Matthew R. Suchomel2, Wojtek Dmowski3, Sara E. Mason1, Hui Wu2, Peter K. Davies2, and Andrew M. Rappe1

  • 1The Makineni Theoretical Laboratories, Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6323, USA
  • 2Department of Materials Science and Engineering, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6272, USA
  • 3Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee 37996, USA

Article Text (Subscription Required)

Click to Expand

Supplemental Material (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 98, Iss. 10 — 9 March 2007

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review Letters

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×