Multiscale structural analysis of polymorphic phase boundaries in doped antiferroelectric sodium niobate

Kumar, Harsh; Ghose, Sanjit; Erasmus, Rudolph; Tripathi, Saurabh

doi:10.1103/physrevb.111.054108

Title: Multiscale structural analysis of polymorphic phase boundaries in doped antiferroelectric sodium niobate

Journal Article · 11 February 2025 · Physical Review. B

DOI: https://doi.org/10.1103/physrevb.111.054108 · OSTI ID:2549230

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Indian Institute of Technology (BHU), Varanasi (India)
Brookhaven National Laboratory (BNL), Upton, NY (United States)
University of the Witwatersrand, Johannesburg (South Africa)

In the current work, we have performed multiscale structural analysis of a Pb-free sodium niobate-based smart system, i.e., 0.9⁢NaNbO₃ –0.1⁢Ba_0.9⁢Ca_0.1⁢TiO₃ (NN-10BCT) reported earlier for its high ferroelectric response. We have investigated the temperature-dependent evolution of crystal structure at long, medium, and short ranges using synchrotron x-ray diffraction (SXRD), Raman scattering, and pair distribution function(PDF) techniques in conjunction with dielectric studies. Temperature-dependent synchrotron x-ray diffraction data combined with dielectric analysis suggest two unique polymorphic phase boundaries (PPB) with two coexisting ferroelectric phases stable in the wide temperature ranges. These PPBs are stable in different regions viz. (i) cryogenic temperatures with coexisting R3c and Pmc⁢2₁ phases (ii) vicinity of room temperatures with coexisting Pmc⁢2₁ and Amm2 phases. In contrast to the conclusions drawn from SXRD, PDF reveals structures having lower symmetry (with coexisting Cc+ Pmc2₁ phases at 1.7 ≤r≤ 20 Å) at short ranges for these PPBs. In conclusion, the presence of different long- and short-range symmetries (accommodating tilt-oriented ferroelectric phases) in the unique polymorphic phase boundaries makes them thermally stable and advantageous for technological applications.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States). National Synchrotron Light Source II (NSLS-II)

Sponsoring Organization:: Defence Research and Development Organisation; Government of India; USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: SC0012704

OSTI ID:: 2549230

Report Number(s):: BNL--227969-2025-JAAM

Journal Information:: Physical Review. B, Journal Name: Physical Review. B Journal Issue: 5 Vol. 111; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Title: Multiscale structural analysis of polymorphic phase boundaries in doped antiferroelectric sodium niobate

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