X射线衍射仪固有角度刻度误差对点阵参数计算精确度影响的研究

Study on the effect of X-ray diffractometer inherent angle scale error on the precision of lattice parameter calculation

本文研究粉末衍射仪客观存在的固有角度刻度误差导致的测量角度变化对点阵参数计算精确度的影响,它理论上代表着各台衍射仪(不同实验室)所得到的点阵参数的一致性的极限.具体方法为利用多个带有角度随机误差的多晶硅计算谱,模拟某种制造精度的多台衍射仪的测量结果,并使用三种方法进行点阵参数的拟合计算,从而进行分析.

This paper studies the effect of measuring angle error in X-ray powder diffractometer, which is caused by diffractome-ter inherent angle scale error resulting from mechanical manufacture, on the precision of calculated lattice parameter. It represents the theoretical limit of the consistency of the lattice parameters obtained by different diffractometers and laboratories. We use the calculated polysilicon diffraction patterns with random angle error to simulate the results mea-sured by many sets of diffractometers of some manufacturing precision, then calculate and analyze the lattice parameters by three methods.