Average and local structure of the Pb-free ferroelectric perovskites and
Abstract
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 Sr0.9Sn0.1TiO3 and Ba0.79Ca0.16Sn0.05TiO3 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.
- Authors:
-
- 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
- Publication Date:
- Research Org.:
- Univ. of California, Santa Barbara, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1254476
- Alternate Identifier(s):
- OSTI ID: 1229913
- Grant/Contract Number:
- DMR-1403862
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review. B, Condensed Matter and Materials Physics
- Additional Journal Information:
- Journal Volume: 92; Journal Issue: 21; Journal ID: ISSN 1098-0121
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Laurita, Geneva, Page, Katharine, Suzuki, Shoichiro, and Seshadri, Ram. Average and local structure of the Pb-free ferroelectric perovskites (Sr,Sn)TiO3 and (Ba,Ca,Sn)TiO3. United States: N. p., 2015.
Web. doi:10.1103/PhysRevB.92.214109.
Laurita, Geneva, Page, Katharine, Suzuki, Shoichiro, & Seshadri, Ram. Average and local structure of the Pb-free ferroelectric perovskites (Sr,Sn)TiO3 and (Ba,Ca,Sn)TiO3. United States. https://doi.org/10.1103/PhysRevB.92.214109
Laurita, Geneva, Page, Katharine, Suzuki, Shoichiro, and Seshadri, Ram. Wed .
"Average and local structure of the Pb-free ferroelectric perovskites (Sr,Sn)TiO3 and (Ba,Ca,Sn)TiO3". United States. https://doi.org/10.1103/PhysRevB.92.214109. https://www.osti.gov/servlets/purl/1254476.
@article{osti_1254476,
title = {Average and local structure of the Pb-free ferroelectric perovskites (Sr,Sn)TiO3 and (Ba,Ca,Sn)TiO3},
author = {Laurita, Geneva and Page, Katharine and Suzuki, Shoichiro and Seshadri, Ram},
abstractNote = {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 Sr0.9Sn0.1TiO3 and Ba0.79Ca0.16Sn0.05TiO3 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.},
doi = {10.1103/PhysRevB.92.214109},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 21,
volume = 92,
place = {United States},
year = {Wed Dec 16 00:00:00 EST 2015},
month = {Wed Dec 16 00:00:00 EST 2015}
}
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