Finite electric-field study of pressure effects on polarization rotation in PbTiO3

P. Ganesh, R. E. Cohen

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

We perform first-principles finite-electric field simulations of PbTiO 3 both at zero and high pressures to investigate the effect of pressure on polarization rotation. We find that whereas a large electric field is required at zero pressure to induce a phase transition from the tetragonal (P4mm) phase to the rhombohedral (R3m) phase, at 8GPa a relatively small electric field is required indicating the greater ease of polarization rotation at high pressure. Pressure reduces the relative well depth between the two phases leading to a softer free-energy surface. This explains the increased electro-mechanical coupling obtained in PbTiO3 with pressure.

Original languageEnglish
Title of host publicationMultiferroic and Ferroelectric Materials
Pages72-76
Number of pages5
StatePublished - 2010
Externally publishedYes
Event2009 MRS Fall Meeting - Boston, MA, United States
Duration: Nov 30 2009Dec 4 2009

Publication series

NameMaterials Research Society Symposium Proceedings
Volume1199
ISSN (Print)0272-9172

Conference

Conference2009 MRS Fall Meeting
Country/TerritoryUnited States
CityBoston, MA
Period11/30/0912/4/09

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