Eu-induced lattice vibrations in Gd2O3 crystals

Abstract

The effect of trivalent Eu impurity occupying a position with the S6 site symmetry in cubic Gd2O3 on the latter's structure and phonon spectrum is investigated. This study was performed by means of computer modeling within a shell model. The equilibrium structures and phonon local symmetrized densities of states were calculated. In addition, frequencies of localized vibrations induced by Eu ion were determined. The calculated results were compared with the available experimental data in literature. © 2019 IOP Publishing Ltd.