Structural properties of barium stannate
Abstract
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.
- Authors:
-
- Argonne National Lab. (ANL), Lemont, IL (United States)
- Carnegie Institute of Washington, Argonne, IL (United States); Center for High Pressure Science and Technology Advanced Research, Shanghai (China)
- Argonne National Lab. (ANL), Lemont, IL (United States); Northern Illinois Univ., DeKalb, IL (United States)
- Univ. of Illinois, Urbana, IL (United States)
- National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Forschungszentrum Julich, Julich (Germany)
- The Univ. of Chicago, Argonne, IL (United States)
- Publication Date:
- Research Org.:
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Org.:
- 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)
- OSTI Identifier:
- 1438221
- Alternate Identifier(s):
- OSTI ID: 1703257
- Grant/Contract Number:
- AC02-06CH11357
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Solid State Chemistry
- Additional Journal Information:
- Journal Volume: 262; Journal Issue: C; Journal ID: ISSN 0022-4596
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; Diffraction; Oxides; Semiconductor; Structure
Citation Formats
Phelan, D., Han, F., Lopez-Bezanilla, A., Krogstad, M. J., Gim, Y., Rong, Y., Zhang, Junjie, Parshall, D., Zheng, H., Cooper, S. L., Feygenson, M., Yang, Wenge, and Chen, Yu -Sheng. Structural properties of barium stannate. United States: N. p., 2018.
Web. doi:10.1016/j.jssc.2018.01.019.
Phelan, D., Han, F., Lopez-Bezanilla, A., Krogstad, M. J., Gim, Y., Rong, Y., Zhang, Junjie, Parshall, D., Zheng, H., Cooper, S. L., Feygenson, M., Yang, Wenge, & Chen, Yu -Sheng. Structural properties of barium stannate. United States. https://doi.org/10.1016/j.jssc.2018.01.019
Phelan, D., Han, F., Lopez-Bezanilla, A., Krogstad, M. J., Gim, Y., Rong, Y., Zhang, Junjie, Parshall, D., Zheng, H., Cooper, S. L., Feygenson, M., Yang, Wenge, and Chen, Yu -Sheng. Wed .
"Structural properties of barium stannate". United States. https://doi.org/10.1016/j.jssc.2018.01.019. https://www.osti.gov/servlets/purl/1438221.
@article{osti_1438221,
title = {Structural properties of barium stannate},
author = {Phelan, D. and Han, F. and Lopez-Bezanilla, A. and Krogstad, M. J. and Gim, Y. and Rong, Y. and Zhang, Junjie and Parshall, D. and Zheng, H. and Cooper, S. L. and Feygenson, M. and Yang, Wenge and Chen, Yu -Sheng},
abstractNote = {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.},
doi = {10.1016/j.jssc.2018.01.019},
journal = {Journal of Solid State Chemistry},
number = C,
volume = 262,
place = {United States},
year = {Wed Jan 31 00:00:00 EST 2018},
month = {Wed Jan 31 00:00:00 EST 2018}
}
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Cited by: 6 works
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Figures / Tables:
Fig. 1: Rietveld refinement of powder neutron diffraction data for BaSnO3 at 100 K. Data points are shown by red + symbols and the fit is shown in solid red. Short blue lines mark the positions of Bragg reflections, and the difference curve is shown in solid black.
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