Voigt function fit of X‐ray and neutron powder diffraction profiles
Voigt function fit of X‐ray and neutron powder diffraction profiles
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X 射线和中子粉末衍射谱的 Voigt 函数拟合
DOI：
10.1107/s002188987901270x
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发表时间：
1979
影响因子：
6.1
通讯作者：
L. Unonius
中科院分区：
文献类型：
--
作者：
P. Suortti;M. Ahtee;L. Unonius
研究了用中子和x射线测量的Ni粉末衍射曲线的Voigt函数拟合。在中子的情况下，仪器因素占主导地位，而x射线谱则由晶体的大小和应变决定。中子衍射谱在峰值的10 -2 ~ 10 -3强度范围内拟合得很好；在高斯拟合的基础上，改进了一个数量级。在x射线的情况下，总体拟合是令人满意的，但Voigtian未能同时适当地考虑颗粒尺寸和应变展宽。结果表明，拟合参数与晶体的物理测量值不一致。
The Voigt function fit to the experimental powder diffraction profiles of Ni, measured with neutrons and X-rays, is studied. In the neutron case the instrumental factors are dominant while the X-ray profiles are determined by the size and strains of the crystallites. The neutron diffraction profiles fit very well down to an intensity level of 10 -2 to 10 -3 of the peak value; the improvement is an order of magnitude over the Gaussian fit. In the X-ray case, the overall fit is satisfactory, but the Voigtian fails to account properly for particle size and strain broadening simultaneously. It is concluded that the fitting parameters do not correspond to the physical measurements of the crystallites.