Resonance vibrations of F- and F+- centers in α-Al 2O3 crystals

Abstract

A recursive method is used to simulate the lattice dynamics of α-Al2O3 crystals with F- and F+-centers in terms of the shell model. The local density of vibrations of atoms in the 1st and 2nd coordination spheres of a cluster comprising 1000 ions is calculated. Frequencies of defect-induced symmetrized vibrations are determined. The calculation results are compared with the data of the optical absorption in oxygen-deficient Al2O3 crystals. © 2007 IOP Publishing Ltd.