Influence of the growth direction on properties of ferroelectric ultrathin films

I. Ponomareva and L. Bellaiche
Phys. Rev. B 74, 064102 – Published 3 August 2006

Abstract

A first-principles-based approach is developed and used to investigate Pb(Zr0.4Ti0.6)O3 ultrathin films having different growth directions and subject to different boundary conditions. A wide variety of dipole patterns is found, including ferroelectric phases absent in the bulk and different periodic stripe nanodomains. Moreover, a large enhancement of dielectricity is found in ultrathin films exhibiting a growth direction that differs from a possible direction of the polarization in the corresponding bulk. A set of two general and simple rules is provided to analyze and understand all these features.

  • Figure
  • Received 26 June 2006

DOI:https://doi.org/10.1103/PhysRevB.74.064102

©2006 American Physical Society

Authors & Affiliations

I. Ponomareva* and L. Bellaiche

  • Department of Physics, University of Arkansas, Fayetteville, Arkansas 72701, USA

  • *Electronic address: iponoma@uark.edu
  • Electronic address: laurent@uark.edu

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Issue

Vol. 74, Iss. 6 — 1 August 2006

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