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Analyzes of the structure, crystallite size and internal strain of a small crystal by a x-ray powder diffraction method

通过 X 射线粉末衍射法分析小晶体的结构、微晶尺寸和内部应变

基本信息

批准号：
05640537
负责人：
NAKAMUTA Yoshihiro
金额：
$ 1.22万
依托单位：
KYUSHU UNIVERSITY
依托单位国家：
日本
项目类别：
Grant-in-Aid for General Scientific Research (C)
财政年份：
1993
资助国家：
日本
起止时间：
1993 至 1994
项目状态：
已结题

项目摘要

This study aimed to determine the precise lattice parameters, crystallite size and internal strain of a very small crystal less than 100mum by applying a profile fitting technique to the x-ray powder diffraction data obtained with a Gandolfi camera. The brief summary of the results obtained in this study is as follows.1. By an application of a profile-fitting technique to the x-ray diffraction data obtained with a Gandolfi camera, the 2 rheta position of each diffraction line can be determined within an error of less than 0.01ﾟ(2rheta).2. In the case of the crystal which gives clear diffraction lines in the high angle range of a diffraction diagram, the lattice parameters of a very small crystal can be determined precisely by an extrapolation method.3. For the crystal which does not show a clear diffraction pattern in the high angle range of a diffraction diagram, an internal standard method was applied to estimate the systematic errors included in the diffraction line positions.A very small sized crystal less than 100 mum was coated with a standard material by using a syanoacrylate as the dispersing agent. After the correction of systematic errors, the lattice parameters of a very small crystal can be determined precisely by using a least-square technique.4. After the correction of the mechanical line broadening by referring the integral breadth of a standard material, the crystallite size and internal strain of a very small crystal can be estimated by the Williamson-Hall method.

本研究的目的是确定精确的晶格参数，晶粒尺寸和内部应变的一个非常小的晶体小于100微米，通过应用轮廓拟合技术与Gandolfi相机获得的X射线粉末衍射数据。本研究所获结果的简要总结如下.通过将轮廓拟合技术应用于用Gandolfi相机获得的X射线衍射数据，可以在小于0.01 μ m（2 rheta）的误差内确定每条衍射线的2 rheta位置。对于在衍射图的高角度范围内给出清晰衍射线的晶体，可以通过外推法精确地确定非常小的晶体的晶格参数。3.对于在衍射图的高角范围内没有显示出清晰衍射图案的晶体，采用内标法来估计衍射线位置中包含的系统误差。经过系统误差校正后，用最小二乘法可以精确地测定极小晶体的晶格参数.在参考标准材料的积分宽度对机械线展宽进行校正后，可以用Williamson-Hall方法估算极小晶体的晶粒尺寸和内部应变。