拉曼谱带多峰拟合的可重复性和函数适合度研究  

Repeatbility and function suitability of multi-peak fitting of Raman spectrum

作　　者：勾艳蓉 李秋[1] 薛凯 王丽捷[1] GOU Yan-rong;LI Qiu;XUE Kai;WANG Li-jie(School of Mechanical Engineering,Tianjin University of Technology and Education,Tianjin 300222,China)

机构地区：[1]天津职业技术师范大学机械工程学院,天津300222

出　　处：《天津职业技术师范大学学报》2020年第4期7-11,共5页Journal of Tianjin University of Technology and Education

基　　金：国家自然科学基金资助项目(11772227);天津市高校中青年骨干创新人才培养计划项目(RC180204).

摘　　要：拉曼光谱数据的正确与精确拟合是使用拉曼光谱技术定量测量应力、应变等物理量的前提。文章以氮铝钛(TiAlN)涂层的拉曼光谱数据拟合为例,研究完整和不完整(峰形有缺口)2种拉曼谱带的多峰拟合问题,比较了分别使用洛伦兹和高斯2种峰轮廓函数拟合的可重复性和适合度。结果表明:对于有缺口的拉曼谱带,使用洛伦兹函数拟合的结果具有良好的可重复性,使用高斯函数拟合的结果不具有可重复性。而对于完整的拉曼谱带,2种函数拟合结果的可重复性相同,但高斯函数比洛伦兹函数更适合TiAlN的完整拉曼谱带的多峰拟合。The correct and accurate fitting of the Raman spectrum data is the premise to quantitatively measure the physical quantities such as stress and strain by Raman spectroscopy.By taking the fitting of Raman spectrum data of TiAlN coating as an example,the multi-peak fitting problem is studied with two kinds of Raman bands,the complete and incomplete(with a gap in shape).Repeatability and fitness of the two peak profile functions are compared with the application of Lorentz and Gauss functions.The results show that,the application of the Lorentz function fitting has good repeatability for the notched Raman band,but the Gaussian function fitting does not.For the complete Raman band,the repeatabilities of the fitting results caused by the two functions are the same,but the Gaussian function is more suitable for the multi-peak fitting of the complete Raman band of TiAlN than the Lorentz function.

关 键 词：拉曼光谱 数据拟合 可重复性 适合度 

分 类 号：O174[理学—数学]