Local structure in BaTiO3-BiScO3 dipole glasses

Levin, I.; Krayzman, V.; Woicik, J. C.; Bridges, F.; Sterbinsky, G. E.; Usher, T-M.; Jones, J. L.; Torrejon, D.

doi:10.1103/PhysRevB.93.104106

Local structure in $BaTi O_{3} - BiSc O_{3}$ dipole glasses

Journal Article · Mon Mar 14 00:00:00 EDT 2016 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.93.104106· OSTI ID:1344890

Levin, I. ^[1]; Krayzman, V. ^[1]; Woicik, J. C. ^[1]; Bridges, F. ^[2]; Sterbinsky, G. E. ^[3]; Usher, T-M. ^[4]; Jones, J. L. ^[4]; Torrejon, D. ^[5]

National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States). Materials Measurement Science Division
Univ. of California, Santa Cruz, CA (United States). Dept. of Physics
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
North Carolina State Univ., Raleigh, NC (United States). Dept. of Materials Science and Engineering
George Mason Univ., Fairfax, VA (United States). Dept. of Mathematical Sciences

Local structures in cubic perovskite-type (Ba_0.6Bi_0.4)(Ti_0.6Sc_0.4)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-field values of 4 kVmm^-1.

View Accepted Manuscript (DOE)

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-06CH11357; AC02-76SF00515; AC02-98CH10886; AC52-06NA25396

OSTI ID:: 1344890

Alternate ID(s):: OSTI ID: 1242612

Journal Information:: Physical Review B, Journal Name: Physical Review B Journal Issue: 10 Vol. 93; ISSN 2469-9950; ISSN PRBMDO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Time-of-flight neutron total scattering with applied electric fields: Ex situ and in situ studies of ferroelectric materials Usher, Tedi-Marie; Forrester, Jennifer S.; McDonnell, Marshall Review of Scientific Instruments, Vol. 89, Issue 9 https://doi.org/10.1063/1.5037609	journal	September 2018
Field-induced polarization rotation and phase transitions in 0.70 Pb ( M g 1 / 3 N b 2 / 3 ) O 3 − 0.30 PbTi O 3 piezoceramics observed by in situ high-energy x-ray scattering Hou, Dong; Usher, Tedi-Marie; Fulanovic, Lovro Physical Review B, Vol. 97, Issue 21 https://doi.org/10.1103/physrevb.97.214102	journal	June 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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