The Effect of the Shape of Atomic Potential on the Diffraction Pattern of one Dimensional Quasicrystal Material

Abstract

We have simulated the diffraction patterns of both periodic and quasiperiodic monatomic chains using the code Laue (written by Silsbee and Drager) and investigated the effects of the shape of the atomic potential. Three fundamental differences between the diffraction patterns of periodic and quasiperiodic monatomic chain were observed. The width and modulated shape of the diffraction pattern formed by the quasiperiodic chain was found to depend on the shape of the atomic potential. For guassian and exponential atomic shapes, the width decreases as the lattice constant is increased. It also decreases as the size of the atom is increased. For a pseudoatomic shape, the width varies with lattice constant and size of atom in an un-orderly manner.

Keywords: Quasicrystal, Pseudo, Gaussian and Exponential Atomic Potentials