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Title: Structural properties of barium stannate

Abstract

Here BaSnO 3 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 BaSnO 3 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:
 [1];  [2];  [1];  [3];  [4];  [1];  [1];  [5];  [1];  [4];  [6];  [2];  [7]
  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)
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) (SC-22). Scientific User Facilities Division; National Natural Science Foundation of China (NNSFC)
OSTI Identifier:
1438221
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. 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, and Chen, Yu -Sheng. Wed . "Structural properties of barium stannate". United States. doi: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 = {2018},
month = {1}
}

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