Relaxor Ferroelectrics

Relaxor ferroelectrics have fascinating physical properties exhibitting a stronger piezoelectric effect, a high permittivity value over a broad temperature range, and a strong frequency disperion in dielectric response. Currently, the properties are explained by a model with polar nanoregions in a non-polar matrix. However, fundamental scientific understandings of the polar nanoregions have been poorly clear. In order to elucidate mechanism of the propertie, we are investigating analysis of local structure and dynamics using molecular dynamics simulations. Recently we found local dynamics induced by interaction through sharing oxygen atoms. This transition is analogous to water which exhibits unique dielectric response similar to relaxors.

Related Publications

  • H. Takenaka, I. Grinberg, and A. M. Rappe, “Anisotropic local correlations and dynamics in a relaxor ferroelectric”, Phys. Rev. Lett. 110, 147602 (1-5) (2013).PDF
  • I. Grinberg, H. Takenaka, Y.-H. Shin, and A. M. Rappe, “Prediction of Dielectric Dispersion for Lead Based Perovskite and Study of Local Dielectric Response in 0.75Pb(Mg1/3Nb2/3)O3-0.25PbTiO3” Journal of Advanced Dielectrics
    2, 1241009 (1-6) (2012).
  • I. Grinberg, P. Juhás, P. K. Davies, and A.
    M. Rappe, “Relationship between local structure and relaxor
    behavior in perovskite oxides”, Phys. Rev. Lett. 99, 267603 (1-4)
  • P. Juhás, I. Grinberg, A. M. Rappe, W. Dmowski, T. Egami, and
    P. K. Davies, “Correlations between the structure and dielectric
    properties of Pb(Sc2/3W1/3)O3-Pb(Ti/Zr)O3
    relaxors”, Phys. Rev. B 69, 214101 (1-13) (2004).
  • S. M. Young, S. Zaheer, J. C. Y. Teo, C. L. Kane, E. J. Mele, and
    A. M. Rappe,
    “Dirac Semimetal in Three Dimensions”,
    Phys. Rev. Lett. 108, 140405 (1-5) (2012).
  • S. M. Young, S. Chowdhury, E. J. Walter, E. J. Mele, C. L. Kane,
    and A. M. Rappe,
    “Theoretical investigation of the evolution of the topological phase
    of Bi2Se3 under mechanical strain”,
    Phys. Rev. B 84, 085106 (1-4) (2011).