Interface Effects in Ferroelectric PbTiO₃ Ultrathin Films on a Paraelectric Substrate

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M. Sepliarsky, M. G. Stachiotti, and R. L. Migoni
Instituto de Física Rosario, Universidad Nacional de Rosario, 27 de Febrero 210 Bis, 2000 Rosario, Argentina

Received 6 January 2006; published 5 April 2006

Interfaceeffects on the ferroelectric behavior of PbTiO₃ ultrathin films depositedon a SrTiO₃ substrate are investigated using an interatomic potentialapproach with parameters fitted to first-principles calculations. We find thatthe correlation of atomic displacements across the film-substrate interface iscrucial for the stabilization of the ferroelectric state in filmsa few unit cells thick. We show that the minimumfilm thickness for the appearance of a spontaneous polarized domainstate is not an intrinsic property of the ferroelectric filmbut depends on the polarizability of the paraelectric substrate. Wealso observe that the substrate displays an induced polarization withan unusual oscillatory behavior.

URL:	http://link.aps.org/doi/10.1103/PhysRevLett.96.137603
DOI:	10.1103/PhysRevLett.96.137603
PACS:	77.80.-e; 77.22.Ej; 77.84.Dy 77.80.-e Ferroelectricity and antiferroelectricity 77.22.Ej Dielectric polarization and depolarization 77.84.Dy Dielectric, piezoelectric, and ferroelectric niobates, titanates, tantalates, PZT ceramics, etc YEAR: 2006
KEYWORDS:	ferroelectric thin films, lead compounds, dielectric materials, ab initio calculations, dielectric polarisation, strontium compounds

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