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Critical thickness for ferroelectricity in perovskite ultrathin films

Nature volume 422, pages 506–509 (2003)Cite this article

Abstract

The integration of ferroelectric oxide films into microelectronic devices1,2, combined with the size reduction constraints imposed by the semiconductor industry, have revived interest in the old question concerning the possible existence of a critical thickness for ferroelectricity. Current experimental techniques have allowed the detection of ferroelectricity in perovskite films down to a thickness of 40 Å (ten unit cells), ref. 3. Recent atomistic simulations4,5 have confirmed the possibility of retaining the ferroelectric ground state at ultralow thicknesses, and suggest the absence of a critical size. Here we report first-principles calculations on a realistic ferroelectric–electrode interface. We show that, contrary to current thought, BaTiO3 thin films between two metallic SrRuO3 electrodes in short circuit lose their ferroelectric properties below a critical thickness of about six unit cells (∼24 Å). A depolarizing electrostatic field, caused by dipoles at the ferroelectric–metal interfaces, is the reason for the disappearance of the ferroelectric instability. Our results suggest the existence of a lower limit for the thickness of useful ferroelectric layers in electronic devices.

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Figure 1: Structure of a typical ferroelectric capacitor.
Figure 2: Evolution of the energy as a function of the soft-mode distortion ξ.
Figure 3: Induced dipoles, potentials and depolarizing fields along the [001] direction of the short-circuited ferroelectric capacitor.

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Acknowledgements

We thank Th. Tybell, J.-M. Triscone, H. Kohlstedt, M. Veithen, X. Gonze and D. Vanderbilt for discussions, and K. M. Rabe and A. García for critical reading of the manuscript. This work was supported by the VolkswagenStiftung, the ULg, the FNRS-Belgium, the CGRI, the Fundación Ramón Areces and the Spanish MCyT.

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  1. Département de Physique, Université de Liège, Bâtiment B-5, B-4000, Sart-Tilman, Belgium

    Javier Junquera & Philippe Ghosez

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  1. Javier Junquera
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Correspondence to Philippe Ghosez.

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Junquera, J., Ghosez, P. Critical thickness for ferroelectricity in perovskite ultrathin films. Nature 422, 506–509 (2003). https://doi.org/10.1038/nature01501

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