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Structural properties of barium stannate
Journal of Solid State Chemistry ( IF 3.2 ) Pub Date : 2018-01-31 , DOI: 10.1016/j.jssc.2018.01.019
D. Phelan , F. Han , A. Lopez-Bezanilla , M.J. Krogstad , Y. Gim , Y. Rong , Junjie Zhang , D. Parshall , H. Zheng , S.L. Cooper , M. Feygenson , Wenge Yang , Yu-Sheng Chen

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.



中文翻译:

锡酸钡的结构性质

BaSnO 3作为具有高室温载流子迁移率的透明导电氧化物引起了人们的注意。我们报告了一系列的测量,以评估各种长度范围内的BaSnO 3的结构。测量包括单晶中子和X射线衍射,Rietveld和中子粉末衍射的成对分布分析,拉曼散射和高压X射线衍射。各种衍射探针的结果表明,长程和局部结构均与立方对称性一致。压力下的衍射数据与高达48.9 GPa的稳健立方相一致,这得到密度泛函计算的支持。另外,从声子横向声子支路的色散确定了声子速度,其结果与先前的理论估计和超声测量结果非常吻合。

更新日期:2018-03-22
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