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Title: Local structure in BaTiO3-BiScO3 dipole glasses

Local structures in cubic perovskite-type (Ba0.6Bi0.4)(Ti0.6Sc0.4)O3 solid solutions that exhibit reentrant dipole glass behavior have been studied with variable-temperature x-ray/neutron total scattering, extended x-ray absorption fine structure, and electron diffraction methods. Simultaneous fitting of these data using a reverse Monte Carlo algorithm provided instantaneous atomic configurations, which have been used to extract local displacements of the constituent species. The smaller Bi and Ti atoms exhibit probability density distributions that consist of 14 and 8 split sites, respectively. In contrast, Ba and Sc feature single-site distributions. The multisite distributions arise from large and strongly anisotropic off-center displacements of Bi and Ti. The cation displacements are correlated over a short range, with a correlation length limited by chemical disorder. The magnitudes of these displacements and their anisotropy, which are largely determined by local chemistry, change relatively insignificantly on cooling from room temperature. The structure features a nonrandom distribution of local polarization with low-dimensional polar clusters that are several unit cells in size. In situ measurements of atomic pair-distribution function under applied electric field were used to study field-induced changes in the local structure; however, no significant effects besides lattice expansion in the direction of the field could be observed up to electric-fieldmore » values of 4 kVmm-1.« less
Authors:
 [1] ;  [1] ;  [1] ;  [2] ;  [3] ;  [4] ;  [4] ;  [5]
  1. National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States). Materials Measurement Science Division
  2. Univ. of California, Santa Cruz, CA (United States). Dept. of Physics
  3. Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
  4. North Carolina State Univ., Raleigh, NC (United States). Dept. of Materials Science and Engineering
  5. George Mason Univ., Fairfax, VA (United States). Dept. of Mathematical Sciences
Publication Date:
Grant/Contract Number:
AC02-06CH11357; AC02-98CH10886; AC52-06NA25396; AC02-76SF00515; DGE-1356109
Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 93; Journal Issue: 10; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Research Org:
Argonne National Lab. (ANL), Argonne, IL (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
OSTI Identifier:
1344890
Alternate Identifier(s):
OSTI ID: 1242612