The two primary physical methods for identifying lithium titanate, a negative electrode material used commercially, are X-Ray diffraction and Raman spectroscopy. Although there are many publications on this topic, they are focused mainly on chemistry, so there are still some points that require clarification from a physical and methodological point of view. Difference of experimentally observed and theoretically predicted Raman spectra was explained through a combination of experiments and computations. The work comprises experiments and computations to explain why there are different numbers of predicted and observed Raman-active bands. Our low-temperature study and the analysis of thermal shifts during heating led us to conclude that the approach with surplus bands is advantageous and we recommend using major F_2g band shifts to estimate the sample heating.

中文翻译：

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Li4Ti5O12 的温度拉曼研究及其能带数量的模糊性

识别商业使用的负极材料钛酸锂的两种主要物理方法是 X 射线衍射和拉曼光谱。尽管关于这个主题的出版物有很多，但它们主要集中在化学方面，因此仍然有一些问题需要从物理和方法论的角度进行澄清。通过实验和计算的结合解释了实验观察到的拉曼光谱与理论预测的拉曼光谱的差异。这项工作包括实验和计算，以解释为什么预测和观察到的拉曼活性带的数量不同。我们的低温研究和加热过程中热位移的分析使我们得出结论，使用剩余谱带的方法是有利的，我们建议使用主要的 F _2g谱带位移来估计样品加热。