Li+ conductivity of tungsten bronze LixSr1−0.5xTa2O6 studied by neutron diffraction analysis

Han, Hyeon-Dong; Avdeev, Maxim; Kim, Young Il

doi:10.1039/c8ra02779j

Cited by 2 publications

(1 citation statement)

References 25 publications

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“…The TTB phases have a flexible chemical framework and thus offer great opportunity for property tuning by modifying the stoichiometry of the sample . Therefore, TTB phases have long been investigated for their dielectric, pyroelectric, piezoelectric, luminescence, and ionic conductivity properties. − …”

Section: Introductionmentioning

confidence: 99%

Long-Range and Local Structure of Sr_xBa_1–xNb₂O₆ (x = 0.33 and 0.67) across the Ferroelectric–Relaxor Transition

Zhang

Liu

et al. 2020

Chem. Mater.

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Tetragonal tungsten bronze (TTB), with a flexible chemical framework, is an important class of ferroelectric oxide that hosts both the frequency-independent ferroelectric behavior as well as the broad, frequency-dependent relaxor behavior. One particularly interesting composition is the archetype Sr x Ba1–x Nb2O6 (denoted as SBN100x), which display a crossover from ferroelectric (FE) to relaxor (RE) with x > 0.6. While the dielectric responses of TTBs have been extensively reported, the atomic origin that leads to the switch between RE and FE behavior remains unclear. In this contribution, the structural evolution of Sr x Ba1–x Nb2O6 (x = 0.33 and 0.67, a FE and RE compound, respectively), from the long-range average structure to the local atomic ordering, from 300 to 720 K, is probed with Rietveld analysis, small-box least-squares refinement, and Reverse Monto Carlo (RMC) modeling using neutron total scattering data. For both compounds, a static, distorted local atomic configuration, different from the long-range crystal structure (P4/mbm), is revealed well above the ferroelectric transition temperature, indicating local polarization. In particular, a net polarization at the Nb2 site is found only in the RE composition. Overall, the FE to RE crossover is explained in the context of the local cation configuration: the Sr/Ba size mismatch at A1 sites displaces neighboring oxygen, leading to net polarization in SBN67 and the observed RE behavior. These results demonstrate new findings regarding the microscopic origin of the FE to RE crossover in TTB.

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Section: Introductionmentioning

confidence: 99%

Long-Range and Local Structure of Sr_xBa_1–xNb₂O₆ (x = 0.33 and 0.67) across the Ferroelectric–Relaxor Transition

Zhang

Liu

et al. 2020

Chem. Mater.

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Highly efficient lithium container based on non-Wadsley-Roth structure Nb18W16O93 nanowires for electrochemical energy storage

Cheng

et al. 2018

Electrochimica Acta

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Li⁺ conductivity of tungsten bronze Li_xSr_1−0.5xTa₂O₆ studied by neutron diffraction analysis

Abstract: Based on the neutron Rietveld analysis, a three-dimensional Li+ conduction pathway is proposed for the tetragonal tungsten bronze lattice.

Cited by 2 publications

References 25 publications

Long-Range and Local Structure of Sr_xBa_1–xNb₂O₆ (x = 0.33 and 0.67) across the Ferroelectric–Relaxor Transition

Long-Range and Local Structure of Sr_xBa_1–xNb₂O₆ (x = 0.33 and 0.67) across the Ferroelectric–Relaxor Transition

Highly efficient lithium container based on non-Wadsley-Roth structure Nb18W16O93 nanowires for electrochemical energy storage

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Li+ conductivity of tungsten bronze LixSr1−0.5xTa2O6 studied by neutron diffraction analysis

Abstract: Based on the neutron Rietveld analysis, a three-dimensional Li+ conduction pathway is proposed for the tetragonal tungsten bronze lattice.

Cited by 2 publications

References 25 publications

Long-Range and Local Structure of SrxBa1–xNb2O6 (x = 0.33 and 0.67) across the Ferroelectric–Relaxor Transition

Long-Range and Local Structure of SrxBa1–xNb2O6 (x = 0.33 and 0.67) across the Ferroelectric–Relaxor Transition

Highly efficient lithium container based on non-Wadsley-Roth structure Nb18W16O93 nanowires for electrochemical energy storage

Contact Info

Product

Resources

About

Li⁺ conductivity of tungsten bronze Li_xSr_1−0.5xTa₂O₆ studied by neutron diffraction analysis

Long-Range and Local Structure of Sr_xBa_1–xNb₂O₆ (x = 0.33 and 0.67) across the Ferroelectric–Relaxor Transition

Long-Range and Local Structure of Sr_xBa_1–xNb₂O₆ (x = 0.33 and 0.67) across the Ferroelectric–Relaxor Transition