[理化生]第1章原子结构和晶体结构.ppt

Diffraction - The constructive interference, or reinforcement, of a beam of x-rays or electrons interacting with a material. The diffracted beam provides useful information concerning the structure of the material. Bragg’s law - The relationship describing the angle at which a beam of x-rays of a particular wavelength diffracts from crystallographic planes of a given interplanar spacing. In a diffractometer a moving x-ray detector records the 2y angles at which the beam is diffracted, giving a characteristic diffraction pattern Section 1.8 晶体结构分析中的衍射技术 晶体材料的晶体结构可以用X射线衍射或者电子衍射来分析。一束单波长的X射线入射到材料上时，X射线在各个方向上产生散射。然而，以一定角度入射到某些晶面的X射线会得到增强而不会消失。这种现象称为衍射(diffraction)。此时，条件需满足布拉格定律(Bragg’s law)， 这里， θ为衍射光束和入射光束夹角的一半。 λ为X射线的波长，dhkl为引起光束增强的晶面的晶面间距。 对于粉末样品的材料，总会有某些粉末颗粒（微小晶体或其聚集体）其晶面 的θ角满足布拉格定律。从而产生与入射光束成 角的衍射光束。在衍射仪中，移动的X射线监测器记录了衍射光束的 角，从而产生一定特征的衍射花样。 1.8.1 X射线衍射（XRD） 图1-42（b）是 SiO2晶体在不同角度 下的衍射强度分布图，在某些角度获得锐利的衍射峰，分别对应于某些原子面的衍射，这是晶体衍射的基本特征，根据它可以分析晶体的原子排列。非晶体的衍射分布则完全不同，SiO2玻璃就不存在锐利的衍射峰，表明原子排列无长程有序的特征。根据X射线的波长，可计算出产生衍射的晶面的晶面间距。在XRD衍射仪中，高能电子束轰击金属靶产生了X射线。一般常使用铜靶，发射X射线的波长 ≈1.544060 ( 线)。因此，XRD作为一种产品质量控制的工具广泛用于许多工业领域。单晶和多相材料的分析更为复杂，也更为耗时。 1.8.1 X射线衍射（XRD） 图1-33 X射线衍射中的布拉格定律 Figure Photograph of a XRD diffractometer Figure (a) Diagram of a diffractometer, showing powder sample, incident and diffracted beams. (b) The diffraction pattern obtained from a sample of gold powder. The results of a x-ray diffraction experiment using x-rays with λ = 0.7107 ? (a radiation obtained from molybdenum (Mo) target) show that diffracted peaks occur at the following 2θ angles: Example Examining X-ray Diffraction Determine the crystal structure, the indices of the plane producing each peak, and the lattice parameter of the material. Example SOLUTION We can first determine the sin2 θ value for each peak, then divide through by the lowest denominator, 0.0308. Example SOLUTION (Continued) We could then use 2θ values for any of the peaks to calculate the interpla