拉曼光谱
高斯分布
高斯函数
谱线
无定形固体
材料科学
功能(生物学)
曲线拟合
光学
计算机科学
物理
化学
计算化学
结晶学
天文
机器学习
进化生物学
生物
摘要
In order to understand the evolution of chemical structure in glasses, Raman features were fitted into different peakfitting functions, including Gaussian and Lorentzian types. It was found that, while single function was used for peakfitting, Gaussian function showed better fitted curves in overlapping bands than Lorentzian function, and Lorentzian function was more suitable for single broad band. On the other hand, while multiple functions were utilized to fit a vibrational peak, the results showed better matching between fitted curve and raw data. Therefore the Raman spectra were decomposed into different structural units. It was found that the evolution of different structural units was correlated with that of the physical parameters reported in literatures in a series of GeAsSe glasses. Therefore, it was concluded that the proposed method could be employed to decompose broad Raman spectra in amorphous materials so that the chemical structure of the material could be understood better.
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