Structural properties of barium stannate
Structural properties of barium stannate
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DOI：
10.1016/j.jssc.2018.01.019
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发表时间：
2018-06
影响因子：
3.3
通讯作者：
D. Phelan;F. Han;A. Lopez-Bezanilla;M. Krogstad;Y. Gim;Y. Rong;Junjie Zhang;D. Parshall;
中科院分区：
文献类型：
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作者：
D. Phelan;F. Han;A. Lopez-Bezanilla;M. Krogstad;Y. Gim;Y. Rong;Junjie Zhang;D. Parshall;
BaSnO3 作为一种具有高室温载流子迁移率的透明导电氧化物而引起了人们的关注。我们报告了一系列测量结果，用于评估 BaSnO3 在各种长度尺度上的结构。测量包括单晶中子和 X 射线衍射、中子粉末衍射的 Rietveld 和对分布分析、拉曼散射和高压 X 射线衍射。各种衍射探针的结果表明，长程结构和局部结构都符合立方对称性。压力下的衍射数据与高达 48.9GPa 的坚固立方相一致，这得到了密度泛函计算的支持。此外，横向声子速度是根据横向声子分支的测量色散确定的，其结果与先前的理论估计和超声测量非常一致。
BaSnO3has 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 BaSnO3over 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.