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

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:
 [1] ;  [2] ;  [3] ;  [4]
  1. Univ. of California, Santa Barbara, CA (United States). Materials Research Laboratory
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical and Engineering Materials Division
  3. Murata Manufacturing, Co., Ltd., Nagaokakyo, Kyoto (Japan)
  4. Univ. of California, Santa Barbara, CA (United States). Materials Department and Materials Research Laboratory
Publication Date:
OSTI Identifier:
1254476
Grant/Contract Number:
DMR-1403862
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)
Research Org:
Univ. of California, Santa Barbara, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY