拉曼光谱检测 LaFeO3 中的空位,Materials Letters

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拉曼光谱检测 LaFeO3 中的空位
Materials Letters ( IF 2.7 ) Pub Date : 2022-10-10 , DOI: 10.1016/j.matlet.2022.133296
Paul Eyméoud , Christian Turquat , Cédric Pardanaud , Christine Leroux , Alexandre Merlen

通过结合拉曼测量和对块状正铁氧体镧的第一性原理研究（ ${氧化铁}_{3}$ )，我们已经证明拉曼峰在 620 附近 ${厘米}^{- 1}$ 通常在这些样本中观察到的是材料中空位的特征。此拉曼峰可用作快速且无损的检测测试，以确定是否存在 ${氧化铁}_{3}$ 样本包含不可忽略的空缺数量。最后，使用第一性原理计算，我们提出了一种红外光谱方法来区分空位（氧、铁或镧）的化学性质。

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Raman spectroscopic detection of vacancies in LaFeO3

By coupling Raman measurements and first-principles investigations on bulk lanthanum orthoferrite ( ${LaFeO}_{3}$ ), we have demonstrated that the Raman peak around 620 ${cm}^{- 1}$ usually observed in these samples is a signature of vacancies within the material. This Raman peak can be used as a fast and non-destructive detection test, to determine whether a ${LaFeO}_{3}$ sample contains a non-negligible quantity of vacancies. Finally, using first-principles calculations, we propose an infrared spectroscopic method to differentiate the chemical nature of vacancies (oxygen, iron, or lanthanum).

更新日期：2022-10-10

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