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Emergence of central mode in the paraelectric phase of ferroelectric perovskites

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Abstract

THz-range dielectric spectroscopy and first-principle-based effective-Hamiltonian molecular dynamics simulations were used to elucidate the dielectric response in the paraelectric phase of (Ba, Sr)TiO3 solid solutions. Our analysis suggests a crossover between two regimes: a highertemperature regime governed by the soft mode only versus a lower-temperature regime exhibiting a coupled soft mode/central mode dynamics. Interestingly, a single model can be used to adjust the THz dielectric response in the entire range of the paraelectric phase. The central peak cannot be discerned anymore in the dielectric spectra when the rate of underlying thermally activated processes exceeds certain characteristic frequency of the system.

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Acknowledgments

We thank Jan Petzelt for useful discussions. J.H. acknowledges the support of the Czech Ministry of Education (Project MSMT ME08109). J.W. and L.B. acknowledge the financial support of NSF DMR-1066158 and DMR-0701558. They also acknowledge ONR Grants N00014-11-1-0384, N00014-12-1-1034 and N00014-08-1-0915, the Department of Energy, Office of Basic Energy Sciences, under Contract ER-46612, and ARO Grant W911NF-12-1-0085 for discussions with scientists sponsored by these grants. I.P. acknowledges the financial support of the Department of Energy, Office of Basic Energy Sciences under Grant DE-SC0005245. Some computations were also made possible thanks to the MRI Grant 0722625 from NSF, ONR Grant N00014-07-1-0825 (DURIP), and a Challenge grant from the Department of Defense.

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Authors and Affiliations

  1. Department of Physics and Institute for Nanoscience and Engineering, University of Arkansas, Fayetteville, Arkansas, 72701, USA

    Jeevaka Weerasinghe & L. Bellaiche

  2. Institute of Physics, Academy of Sciences of the Czech Republic, 18221, Prague 8, Czech Republic

    T. Ostapchuk, P. Kužel & C. Kadlec

  3. Department of Physics, University of South Florida, Tampa, Florida, 33620, USA

    S. Lisenkov & I. Ponomareva

  4. Institute of Physics, Academy of Sciences of the Czech Republic, 18221, Prague 8, Czech Republic

    J. Hlinka

Authors
  1. Jeevaka Weerasinghe
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  2. L. Bellaiche
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  3. T. Ostapchuk
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  4. P. Kužel
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  5. C. Kadlec
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  6. S. Lisenkov
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  7. I. Ponomareva
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  8. J. Hlinka
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Correspondence to J. Hlinka.

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Weerasinghe, J., Bellaiche, L., Ostapchuk, T. et al. Emergence of central mode in the paraelectric phase of ferroelectric perovskites. MRS Communications 3, 41–45 (2013). https://doi.org/10.1557/mrc.2013.5

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