首页> 外文期刊>Journal of Materials Engineering and Performance >Local Structure Around Nb Site of a Potential Thermoelectric Material La1/3NbO3 from Temperature-Dependent Extended x-ray Absorption Fine Structure Spectroscopy
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Local Structure Around Nb Site of a Potential Thermoelectric Material La1/3NbO3 from Temperature-Dependent Extended x-ray Absorption Fine Structure Spectroscopy

机译:来自温度依赖性延伸X射线吸收细结构光谱法的潜在热电材料La1 / 3n3的Nb位点局部结构

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摘要

The effort to find thermoelectric materials suitable for different applications is an intense research topic of a large material science community. In this context, A-site-deficient La1/3NbO3, which shows an irreversible pressure-induced amorphization at above 15 GPa, has attracted recent attention. Here, we present a temperature-dependent Nb K-edge extended x-ray absorption fine structure (EXAFS) study of La1/3NbO3 in the range 77-500K probing the Nb-O bond correlations. These results are compared with the Nb-O bond correlations in two related oxides NbO2 and Nb2O5. In comparison with NbO2 and Nb2O5, the Nb-O bond mean square relative displacements in La1/3NbO3 show much weaker temperature dependence revealing its enhanced spring constant. The A site deficiency in La1/3NbO3 may allow the oxygen atoms to preserve their local geometry and thus are less responsive to the external stimuli like temperature, which may be important in determining the thermal and electrical conductivity properties of this system.
机译:寻找适合于不同应用的热电材料是大型物质科学界的强烈研究课题。在这种情况下,存在于15GPa以上的不可逆的压力诱导的无可逆性压力诱导的无抗性的La1 / 3nBo3的现场缺陷型La1 / 3nBO 3引起了最近的关注。这里,我们介绍了La1 / 3nBo3的温度依赖性Nb k边缘延长X射线吸收细结构(Exafs),其范围为77-500K探测Nb-O键相关性。将这些结果与两个相关氧化物NBO2和NB2O5中的Nb-O键相关结果进行比较。与NBO2和NB2O5相比,LA1 / 3NBO3中的NB-O键均方相对位移显示出较弱的温度依赖性,揭示其增强的弹簧常数。 La1 / 3nbO3的网站缺乏可以允许氧原子保持其局部几何形状,因此对外部刺激的响应性较小,这对于确定该系统的热和导电性能可能是重要的。

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