X射线衍射多相谱中某一物相点阵参数的直接求解方法

介绍了一种新的求解点阵参数的方法--不涉及结构的谱峰拟合方法.该方法适用于单一物相或多个物相衍射谱中某一物相点阵参数的直接求解,可以避免外推函数的不同选择而造成的差异,且快速准确.根据此方法编写的应用程序已在实际工作中得到应用.程序中还包括了调整样品表面离轴偏差和零度偏差以提高拟合精确度的功能. 关键词： X射线衍射 谱峰拟合 点阵参数     

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

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.     

CHARACTERIZATION OF POLYCRYSTALLINE GRADIENT THIN FILM BY X-RAY DIFFRACTION METHOD

A direct method is proposed to quantitatively characterize the structural depth profiles emerged in the polycrystalline thin films based on the information obtained by X-ray diffraction (XRD) with various incident angles and treated by a numerical procedure known as the constrained linear inversion. It should be noted that the proposed method was neither sensitive to the random noise appearing in experiment nor to the error originated from the measured thickness of the specimen. To testify the validity of the method, XRD measurements were carried out on a specially designed Pd/Ag bilayer sample, which was annealed at 490℃ for 20 min, and the depth profiles were accordingly calculated through resolving the obtained XRD patterns. The elemental concentration depth profile of the Pd/Ag bilayer sample was in turn calculated from the resolved patterns, which was in good agreement with those obtained by Auger electron analysis on the annealed sample.