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 · 15 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; DOE Office of Scientific and Technical Information (OSTI)
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; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

OSTI ID:: 1254476

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

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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