Structural properties of barium stannate

• Published in: Journal of solid state chemistry Vol. 262; no. C; pp. 142 - 148
• Main Authors: 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
• Format: Journal Article
• Language: English
• Published: United States Elsevier Inc 01.06.2018; Elsevier
• Subjects: Diffraction; MATERIALS SCIENCE; Oxides; Semiconductor; Structure; Oxides; Semiconductor; Diffraction; Structure
• ISSN: 0022-4596; 1095-726X
• DOI: 10.1016/j.jssc.2018.01.019

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. The structure and dynamics of barium stannate were probed using a variety of techniques. [Display omitted] •A variety of probes examined the local and long-range structure of barium stannate.•Inelastic neutron scattering was used to measure transverse acoustic phonons.•Structure was measured to high pressures and consistent with cubic symmetry.