Favorable Concurrence of Static and Dynamic Phenomena at the Morphotropic Phase Boundary of xBiNi0.5Zr0.5O3-(1-x)PbTiO3

Datta, Kaustuv; Neder, Reinhard; Chen, J.; Neuefeind, Joerg C.; Mihailova, B.

doi:10.1103/PhysRevLett.119.207604

Favorable Concurrence of Static and Dynamic Phenomena at the Morphotropic Phase Boundary of $x {BiNi}_{0.5} {Zr}_{0.5} O_{3} - (1 - x) {PbTiO}_{3}$

Journal Article · Thu Nov 16 00:00:00 EST 2017 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.119.207604· OSTI ID:1427697

Datta, Kaustuv ^[1]; Neder, Reinhard ^[2]; Chen, J. ^[3]; ^[4]; Mihailova, B. ^[1]

Univ. of Hamburg (Germany). Inst. for Theoretical Physics
Univ. of Erlangen-Nuremberg (Germany)
Univ. of Science and Technology Beijing (China)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

We demonstrate that the morphotropic phase boundary of the lead-free ferroelectric system

x {BiNi}_{0.5} {Zr}_{0.5} O_{3} - (1 - x) {PbTiO}_{3}

(NBT-xBT) can be uniquely distinguished by a reduced polarizationstate along with a non-uniform attening of the local potential function of A- and B-site cationsof the perovskite-type structure. This establishes a robust structure-property connections based onthe atomic-level structural correlations which elucidates the long-standing question: why the MPBof NBT-xBT does not excel as much as Pb-based materials do; and further help to develop strategyin designing ecient lead-free ferroelectric systems.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1427697

Alternate ID(s):: OSTI ID: 1409138

Journal Information:: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 20 Vol. 119; ISSN 0031-9007; ISSN PRLTAO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Optimization of multiferroic properties in BiFeO3–BaTiO3-based ceramics by tuning oxygen octahedral distortion Li, Y.; Zhou, S. D.; Zhu, L. Journal of Materials Science, Vol. 55, Issue 7 https://doi.org/10.1007/s10853-019-04244-7	journal	December 2019
Multistep coupling of preexisting local ferroic distortions in PbTiO ₃ above the Curie temperature Margaritescu, I.; Datta, K.; Mihailova, B. Journal of Physics: Condensed Matter, Vol. 30, Issue 43 https://doi.org/10.1088/1361-648x/aae344	journal	October 2018
Large electromechanical response in ferroelectrics: Beyond the morphotropic phase boundary paradigm Shankar, Uma; Kumar, Naveen; Narayan, Bastola Physical Review B, Vol. 100, Issue 9 https://doi.org/10.1103/physrevb.100.094101	journal	September 2019
Increasing intervention of nonferroelectric distortion and weakening of ferroelectricity at the morphotropic phase boundary in N a 0.5 B i 0.5 Ti O 3 − BaTi O 3 Das Adhikary, Gobinda; Khatua, Dipak Kumar; Mishra, Anupam Physical Review B, Vol. 100, Issue 13 https://doi.org/10.1103/physrevb.100.134111	journal	October 2019

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Favorable Concurrence of Static and Dynamic Phenomena at the Morphotropic Phase Boundary of $x {BiNi}_{0.5} {Zr}_{0.5} O_{3} - (1 - x) {PbTiO}_{3}$