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Order-disorder behavior in KNbO3 and KNbO3/KTaO3 solid solutions and superlattices by molecular-dynamics simulation

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Abstract

We use molecular-dynamics simulation to examine the order-disorder behavior in pure ferroelectric KNbO3and in KNbO3-KTaO3 ferroelectric-paraelectric solid solutions and superlattices. We find that the order-disorder behavior is remarkably robust and plays an important role in both the polarization rotation associated with switching of the perfect crystal and in the dynamical behavior of the solid solutions and superlattices.

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Authors and Affiliations

  1. Department of Materials Science and Engineering, University of Florida, Gainesville, FL, 32611, USA

    S. R. Phillpot

  2. Instituto de Fisica Rosario, CONICET-UNR, Rosario, Argentina

    M. Sepliarsky, M. G. Stachiotti & R. L. Migoni

  3. Materials Science Division, Argonne National Laboratory, Argonne, IL, 60439, USA

    S. K. Streiffer

Authors
  1. S. R. Phillpot
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  2. M. Sepliarsky
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  3. M. G. Stachiotti
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  4. R. L. Migoni
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  5. S. K. Streiffer
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Correspondence to S. R. Phillpot.

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Phillpot, S.R., Sepliarsky, M., Stachiotti, M.G. et al. Order-disorder behavior in KNbO3 and KNbO3/KTaO3 solid solutions and superlattices by molecular-dynamics simulation. J Mater Sci 40, 3213–3217 (2005). https://doi.org/10.1007/s10853-005-2687-z

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  • DOI: https://doi.org/10.1007/s10853-005-2687-z

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