《lecture 4 XRD》.ppt

2011 Fall, Characterization of Advanced Materials Towards a Sustainable Energy Future 2011 Fall SemesterCharacterization of Advanced MaterialsLecture 4: Basics of XRD Crystalline materials are characterized by the orderly periodic arrangements of atoms. The unit cell is the basic repeating unit that defines a crystal. Parallel planes of atoms intersecting the unit cell are used to define directions and distances in the crystal. These crystallographic planes are identified by Miller indices. The (200) planes of atoms in NaCl The (220) planes of atoms in NaCl The atoms in a crystal are a periodic array of coherent scatterers and thus can diffract light. Diffraction occurs when each object in a periodic array scatters radiation coherently, producing concerted constructive interference at specific angles. The electrons in an atom coherently scatter light. The electrons interact with the oscillating electric field of the light wave. Atoms in a crystal form a periodic array of coherent scatterers. The wavelength of X rays are similar to the distance between atoms. Diffraction from different planes of atoms produces a diffraction pattern, which contains information about the atomic arrangement within the crystal X Rays are also reflected, scattered incoherently, absorbed, refracted, and transmitted when they interact with matter. X-Ray Powder Diffraction (XRPD) uses information about the position, intensity, width, and shape of diffraction peaks in a pattern from a polycrystalline sample. The x-axis, 2theta, corresponds to the angular position of the detector that rotates around the sample. Bragg’s law is a simplistic model to understand what conditions are required for diffraction. For parallel planes of atoms, with a space dhkl between the planes, constructive interference only occurs when Bragg’s law is satisfied. In our diffractometers, the X-ray wavelength l is fixed. Consequently, a family of planes produces a diffraction peak only at a specific angle q. Ad