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Dependence of polarization on epitaxial strain in ferroelectric ultrathin films from first principles
Journal article   Peer reviewed

Dependence of polarization on epitaxial strain in ferroelectric ultrathin films from first principles

S. Bin-Omran, I. Ponomareva and L. Bellaiche
Physical review. B, Vol.77(14)
01/04/2008

Abstract

Materials Science Materials Science, Multidisciplinary Physical Sciences Physics Physics, Applied Physics, Condensed Matter Science & Technology Technology
First-principles-based methods are used to determine the response of polarization to epitaxial strain in films made of BaTiO3 (BT) and Pb(Zr0.5Ti0.5)O-3 (PZT). Unlike in BT films, the strength of this response as well as its sign dramatically depend on the film's thickness and electrical boundary conditions in PZT films. A phenomenological model provides a rationale for these findings.

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