Correlated rattling-ion origins of dielectric properties in reentrant dipole glasses BaTiO{sub 3}-BiScO{sub 3}

Krayzman, Victor; Levin, Igor; Woicik, Joseph C.; Bridges, Frank

doi:10.1063/1.4935417

Title: Correlated rattling-ion origins of dielectric properties in reentrant dipole glasses BaTiO{sub 3}-BiScO{sub 3}

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Abstract

The local structure of the pseudo-cubic solid solution 0.6BaTiO{sub 3}-0.4BiScO{sub 3}, which exhibits reentrant dipole-glass behavior, has been determined using the Reverse Monte Carlo method to simultaneously fit (1) neutron and X-ray total scattering data (including the corresponding real-space pair-distribution functions), (2) Bi and Sc extended X-ray absorption fine structure, and (3) patterns of diffuse scattering in electron diffraction. These structural refinements revealed the multi-site probability density distributions for both Bi (14-sites) and Ti (8 sites), whereas Ba and Sc featured normal unimodal distributions. Bi atoms are displaced along both the 〈111〉 and 〈100〉 directions, while Ti atoms are shifted along 〈111〉. Correlated dynamic hopping of Bi and Ti over their corresponding split sites combined with chemical disorder is proposed as the origin of the strong frequency dispersion observed in dielectric measurements. The existence of split sites also explains the reentrant dipole-glass behavior reported for this system.

Authors:

Krayzman, Victor; Levin, Igor; Woicik, Joseph C. ^[1]; Bridges, Frank ^[2]

Materials Measurement Science Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899 (United States)
Department of Physics, University of California, Santa Cruz, California 95064 (United States)

Publication Date:: Mon Nov 09 00:00:00 EST 2015

OSTI Identifier:: 22486056

Resource Type:: Journal Article

Journal Name:: Applied Physics Letters

Additional Journal Information:: Journal Volume: 107; Journal Issue: 19; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0003-6951

Country of Publication:: United States

Language:: English

Subject:: 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ABSORPTION; ATOMS; DIELECTRIC MATERIALS; DIELECTRIC PROPERTIES; DIFFUSE SCATTERING; DIPOLES; DISTRIBUTION FUNCTIONS; ELECTRON DIFFRACTION; FINE STRUCTURE; GLASS; IONS; MONTE CARLO METHOD; NEUTRONS; ORIGIN; PROBABILITY; SOLID SOLUTIONS; TITANATES; X RADIATION

Citation Formats


                    Krayzman, Victor, Levin, Igor, Woicik, Joseph C., and Bridges, Frank. Correlated rattling-ion origins of dielectric properties in reentrant dipole glasses BaTiO{sub 3}-BiScO{sub 3}.  United States: N. p., 2015. 
        Web.  doi:10.1063/1.4935417.

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                    Krayzman, Victor, Levin, Igor, Woicik, Joseph C., & Bridges, Frank. Correlated rattling-ion origins of dielectric properties in reentrant dipole glasses BaTiO{sub 3}-BiScO{sub 3}.  United States.  https://doi.org/10.1063/1.4935417

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                    Krayzman, Victor, Levin, Igor, Woicik, Joseph C., and Bridges, Frank. 2015.  
        "Correlated rattling-ion origins of dielectric properties in reentrant dipole glasses BaTiO{sub 3}-BiScO{sub 3}".  United States.  https://doi.org/10.1063/1.4935417.

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@article{osti_22486056,

  title        = {Correlated rattling-ion origins of dielectric properties in reentrant dipole glasses BaTiO{sub 3}-BiScO{sub 3}},

  author       = {Krayzman, Victor and Levin, Igor and Woicik, Joseph C. and Bridges, Frank},

  abstractNote = {The local structure of the pseudo-cubic solid solution 0.6BaTiO{sub 3}-0.4BiScO{sub 3}, which exhibits reentrant dipole-glass behavior, has been determined using the Reverse Monte Carlo method to simultaneously fit (1) neutron and X-ray total scattering data (including the corresponding real-space pair-distribution functions), (2) Bi and Sc extended X-ray absorption fine structure, and (3) patterns of diffuse scattering in electron diffraction. These structural refinements revealed the multi-site probability density distributions for both Bi (14-sites) and Ti (8 sites), whereas Ba and Sc featured normal unimodal distributions. Bi atoms are displaced along both the 〈111〉 and 〈100〉 directions, while Ti atoms are shifted along 〈111〉. Correlated dynamic hopping of Bi and Ti over their corresponding split sites combined with chemical disorder is proposed as the origin of the strong frequency dispersion observed in dielectric measurements. The existence of split sites also explains the reentrant dipole-glass behavior reported for this system.},

  doi          = {10.1063/1.4935417},

  url          = {https://www.osti.gov/biblio/22486056},
  journal      = {Applied Physics Letters},

  issn         = {0003-6951},

  number       = 19,

  volume       = 107,

  place        = {United States},

  year         = {Mon Nov 09 00:00:00 EST 2015},

  month        = {Mon Nov 09 00:00:00 EST 2015}

}

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