Average and local structure of the Pb-free ferroelectric perovskites (Sr,Sn)TiO3 and (Ba,Ca,Sn)TiO3

Laurita, Geneva; Page, Katharine; Suzuki, Shoichiro; Seshadri, Ram

doi:10.1103/PhysRevB.92.214109

Title: Average and local structure of the Pb-free ferroelectric perovskites ${(Sr, Sn) TiO}_{3}$ and $(Ba, Ca, Sn) {TiO}_{3}$

Journal Article · 16 December 2015 · Physical Review. B, Condensed Matter and Materials Physics

DOI: https://doi.org/10.1103/PhysRevB.92.214109 · OSTI ID:1254476

Laurita, Geneva ^[1]; Page, Katharine ^[2]; Suzuki, Shoichiro ^[3]; Seshadri, Ram ^[4]

Univ. of California, Santa Barbara, CA (United States). Materials Research Laboratory
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical and Engineering Materials Division
Murata Manufacturing, Co., Ltd., Nagaokakyo, Kyoto (Japan)
Univ. of California, Santa Barbara, CA (United States). Materials Department and Materials Research Laboratory

The characteristic structural off -centering of Pb²⁺ in oxides, associated with its 6s² lone pair, allows it to play a dominant role in polar materials, and makes it a somewhat ubiquitous component of ferroelectrics. In this work, we examine the compounds Sr_0.9Sn_0.1TiO₃ and Ba_0.79Ca_0.16Sn_0.05TiO₃ using neutron total scattering techniques with data acquired at di erent temperatures. In these compounds, previously reported as ferroelectrics, Sn²⁺ appears to display some of the characteristics of Pb²⁺. We compare the local and long-range structures of the Sn2+-substituted compositions to the unsubstituted parent compounds SrTiO₃ and BaTiO₃. Lastly, we find that even at these small substitution levels, the Sn²⁺ lone pairs drive the local ordering behavior, with the local structure of both compounds more similar to the structure of PbTiO₃ rather than the parent compounds.

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Research Organization:: Univ. of California, Santa Barbara, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE

Grant/Contract Number:: DMR-1403862

OSTI ID:: 1254476

Alternate ID(s):: OSTI ID: 1229913

Journal Information:: Physical Review. B, Condensed Matter and Materials Physics, Vol. 92, Issue 21; ISSN 1098-0121

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Local Structural Heterogeneity and Electromechanical Responses of Ferroelectrics: Learning from Relaxor Ferroelectrics Li, Fei; Zhang, Shujun; Damjanovic, Dragan Advanced Functional Materials, Vol. 28, Issue 37 https://doi.org/10.1002/adfm.201801504	journal	July 2018
Effect of A‐site substitutions on energy storage properties of BaTiO ₃ ‐BiScO ₃ weakly coupled relaxor ferroelectrics Nayak, Sanjib; Venkateshwarlu, Sarangi; Budisuharto, Anthony Setiadi Journal of the American Ceramic Society, Vol. 102, Issue 10 https://doi.org/10.1111/jace.16449	journal	April 2019

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Title: Average and local structure of the Pb-free ferroelectric perovskites ${(Sr, Sn) TiO}_{3}$ and $(Ba, Ca, Sn) {TiO}_{3}$