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Theoretical phase diagram of ultrathin films of incipient ferroelectrics

Appl. Phys. Lett. 90, 242918 (2007); doi:10.1063/1.2748844

Published 15 June 2007

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A. R. Akbarzadeh
Department of Materials Science and Engineering, University of California, Los Angeles, P.O. Box 951595, Los Angeles, California 90095-1595 and Physics Department, University of Arkansas, Fayetteville, Arkansas 72701

L. Bellaiche
Physics Department, University of Arkansas, Fayetteville, Arkansas 72701

Jorge Íñiguez
Institut de Ciencia de Materials de Barcelona (ICMAB-CSIC), Campus UAB, 08193 Bellaterra, Spain

David Vanderbilt
Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854-8019
A first-principles-based scheme is used to compute the temperature-versus-misfit strain “Pertsev” phase diagram of ultrathin films of incipient ferroelectric KTaO3. The results suggest that, at variance with the bulk material, KTaO3 ultrathin films cannot be described as quantum paraelectrics. Rather, the behavior of the films is largely determined by surface/interface effects that favor ferroelectricity and the imperfect screening of the depolarizing fields. This leads to Pertsev phase diagrams that are qualitatively similar to those of normal ferroelectrics such as BaTiO3. ©2007 American Institute of Physics
History: Received 1 May 2007; accepted 21 May 2007; published 15 June 2007
Permalink: http://link.aip.org/link/?APPLAB/90/242918/1
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KEYWORDS and PACS

Keywords
PACS
  • 77.84.Dy
    Dielectric, piezoelectric, and ferroelectric niobates, titanates, tantalates, PZT ceramics, etc
  • 77.55.+f
    Dielectric thin films
  • 81.30.Dz
    Phase diagrams of other materials excluding metals and alloys
  • 77.80.-e
    Ferroelectricity and antiferroelectricity
  • 77.22.Ej
    Dielectric polarization and depolarization
  • YEAR: 2007

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PUBLICATION DATA

ISSN:
0003-6951 (print)   1077-3118 (online)
Publisher:
AIP is a member of CrossRef AIP

REFERENCES (27)
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