Ionic Polarizability of Conductive Metal Oxides and Critical Thickness for Ferroelectricity in BaTiO₃

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G. Gerra,¹ A. K. Tagantsev,¹ N. Setter,¹ and K. Parlinski²
¹Ceramics Laboratory, Swiss Federal Institute of Technology (EPFL), CH-1015 Lausanne, Switzerland
²Institute of Nuclear Physics, Polish Academy of Science, 31-342 Cracow, Poland

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Received 23 December 2005; published 17 March 2006

Wereport a first-principles investigation of ultrathin BaTiO₃ films with SrRuO₃electrodes. We find that the ionic relaxations in the metal-oxideelectrode play a crucial role in stabilizing the ferroelectric phase.Comparison with frozen-phonon calculations shows that the degree of softnessof the SrRuO₃ lattice has an essential impact on thescreening of ferroelectric polarization in BaTiO₃. The critical thickness forferroelectricity in BaTiO₃ is found to be 1.2 nm. The resultsof our calculations provide a possible explanation for the beneficialimpact of oxide electrodes on the switching and dielectric propertiesof ferroelectric capacitors.

URL:	http://link.aps.org/doi/10.1103/PhysRevLett.96.107603
DOI:	10.1103/PhysRevLett.96.107603
PACS:	77.55.+f; 68.35.-p; 77.22.Ej; 77.80.Fm 77.55.+f Dielectric thin films 68.35.-p Solid surfaces and solid–solid interfaces: structure and energetics 77.22.Ej Dielectric polarization and depolarization 77.80.Fm Ferroelectric switching phenomena YEAR: 2006
KEYWORDS:	ferroelectric switching, dielectric polarisation, barium compounds, ferroelectric thin films, ab initio calculations, strontium compounds, electrodes, soft modes, ferroelectric capacitors, dielectric relaxation

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Erratum

Erratum: Ionic Polarizability of Conductive Metal Oxides and Critical Thickness for Ferroelectricity in BaTiO₃ [Phys. Rev. Lett. 96, 107603 (2006)]
G. Gerra, A. K. Tagantsev, N. Setter et al.
Phys. Rev. Lett. 99, 169904 (E) (2007)