新型X射线粉末衍射仪高级功能应用研究

摘要

本文介绍了德国布鲁克公司新一代的X射线粉末衍射仪＂D8 ADVANCE with DAVINCI design＂的光源、测角仪、光路系统、探测器和应用软件,并对该仪器进行功能开发应用研究。测试表征了介孔材料SBA-15的小角衍射,并与＂NanoSTAR X射线小角散射系统＂测试的结果进行对比;测试了3种纤维样品的取向度;通过X射线反射（XRR）测定多层膜,并使用Leptos软件进行了拟合,得到了各层膜的厚度、粗糙度及密度;通过测定单晶样品的摇摆曲线来确定单晶样品的晶面;最后简要介绍了对分布函数（Pair Distribution Functions（PDF））的测定及计算。通过对这些非常规的测试及表征,开发了该仪器的功能。%The new generation of X-ray powder diffractometer ＂D8 ADVANCE with DAVINCI design＂ from the German Bruker Corporation is introduced in this paper. With the new designs in X-ray tube, goniometer, optics, detector, and softwares, it provides a multi-function system with high automation. To study the new functions and explore new applications of this instrument, we analyzed different samples for different purposes. First, diffraction of a crystalline mesoporous material, SBA-15, was collected by this instrument. The data showed high agreement with the data collected from NanoSTAR X-ray small angle scattering system, proving the diffractometer＇s capability of diffraction data collection at angles as low as 0.4 o. For a sample of Cu-Fe-Fe3Si-Au multilayer film, the thickness, roughness and density of each film were analyzed by X-Ray Reflectivity （XRR） technique and fitted by the Leptos software. Analysis of the orientation degrees of three types of fiber samples was also presented. To further demonstrate the instrument＇s application in crystal face determination, the lattice plane of a Sr3Ir4Sn13 single crystal was determined by the rocking curve adjustment. Furthermore, as an emerging technique to analyze the short range disorder of crystalline samples, the testing and calculation method of Pair Distribution Functions （PDF） is briefly introduced.