Structural properties of barium stannate

Journal Article · 31 January 2018 · Journal of Solid State Chemistry

DOI: https://doi.org/10.1016/j.jssc.2018.01.019 · OSTI ID:1438221

Phelan, D. ^[1]; Han, F. ^[2]; Lopez-Bezanilla, A. ^[1]; Krogstad, M. J. ^[3]; Gim, Y. ^[4]; Rong, Y. ^[1]; Zhang, Junjie ^[1]; Parshall, D. ^[5]; Zheng, H. ^[1]; Cooper, S. L. ^[4]; Feygenson, M. ^[6]; Yang, Wenge ^[2]; Chen, Yu -Sheng ^[7]

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1. Argonne National Lab. (ANL), Lemont, IL (United States)
2. Carnegie Institute of Washington, Argonne, IL (United States); Center for High Pressure Science and Technology Advanced Research, Shanghai (China)
3. Argonne National Lab. (ANL), Lemont, IL (United States); Northern Illinois Univ., DeKalb, IL (United States)
4. Univ. of Illinois, Urbana, IL (United States)
5. National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States)
6. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Forschungszentrum Julich, Julich (Germany)
7. The Univ. of Chicago, Argonne, IL (United States)

Here BaSnO₃ has attracted attention as a transparent conducting oxide with high room temperature carrier mobility. We report a series of measurements that were carried out to assess the structure of BaSnO₃ over a variety of length scales. Measurements included single crystal neutron and x-ray diffraction, Rietveld and pair distribution analysis of neutron powder diffraction, Raman scattering, and high-pressure x-ray diffraction. Results from the various diffraction probes indicate that both the long-range and local structures are consistent with the cubic symmetry. The diffraction data under pressure was consistent with a robustly cubic phase up to 48.9 GPa, which is supported by density functional calculations. Additionally, transverse phonon velocities were determined from measured dispersion of the transverse acoustic phonon branches, the results of which are in good agreement with previous theoretical estimates and ultrasound measurements.

• Research Organization: Argonne National Laboratory (ANL), Argonne, IL (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; National Institute of Standards and Technology (NIST); National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division; National Natural Science Foundation of China (NSFC)
• Grant/Contract Number: AC02-06CH11357
• OSTI ID: 1438221
• Alternate ID(s): OSTI ID: 1703257
• Journal Information: Journal of Solid State Chemistry, Vol. 262, Issue C; ISSN 0022-4596
• Publisher: ElsevierCopyright Statement
• Country of Publication: United States
• Language: English