X射线衍射双峰的Voigt峰形函数拟合  

Double-peak Fitting of X-ray Diffraction by Voigt Profile Function

作　　者：张庆礼[1] 丁丽华[1] 邵淑芳[1] 刘文鹏[1] 王晓梅[1] 孙敦陆[1] 殷绍唐[1] 

机构地区：[1]中国科学院安徽光学精密机械研究所,合肥230031

出　　处：《人工晶体学报》2009年第2期330-334,共5页Journal of Synthetic Crystals

基　　金：国家自然科学基金资助项目(No.50772112);安徽省优秀青年科技基金(No.08040106820)

摘　　要：给出了Voigt函数的一种计算方法,同时给出了一种用Voigt峰形函数拟合由Kα1、Kα2引起的晶体X射线双峰衍射谱的一种算法,此算法可同时对多个衍射双峰进行拟合和分峰,从而给出较准确的衍射峰宽度,用于计算晶体颗粒尺寸和应力等。用此算法计算了纳米GSGG的颗粒度,结果表明:在低角度,双峰叠加对衍射峰的半高全宽的影响可忽略,而在高角度双峰的衍射间隔加宽,使计算获得的粒度明显偏小。Algorithms to calculate Voigt function and to fit X-ray diffraction twin-peaks of polycrystalline caused by Kα1 and Kα2 X-ray radiation were given, and by which several diffraction twin-peaks can be fitted at the same time. Double X-ray diffraction peaks can be separated to give relatively accurate full width of half maximum （FWHM） used to compute grain size, stress and so on. The grain size of nanoscale GSGG was computed by this method, which indicates that the influence of double peak overlapping on FWHM can be omitted at low diffraction angle, but the distances between the double diffraction peaks increase with the result that the computed grain size is obviously smaller.

关 键 词：Voigt函数 X射线衍射 峰形函数 GSGG 

分 类 号：O212[理学—概率论与数理统计]