Eu-induced lattice vibrations in Gd2O3 crystals

A N Kislov,A F Zatsepin

doi:10.1088/1742-6596/1391/1/012018

A N Kislov, A F Zatsepin

Open Access

https://doi.org/10.1088/1742-6596/1391/1/012018

Copy DOI

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.

Highlights

Gadolinium oxide (Gd2O3) is one of the representatives of a group that consists of 17 sesquioxides of rare earths with different atomic numbers
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
An analysis of local symmetrized densities of states (LSDOS) of phonons in perfect Gd2O3 and defective Gd2O3:Eu made it possible to estimate the effect of Eu+3 ions on the vibrational spectrum and to define the frequencies of localized vibrations

Summary

Introduction

Gadolinium oxide (Gd2O3) is one of the representatives of a group that consists of 17 sesquioxides of rare earths with different atomic numbers. 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. The equilibrium structures and phonon local symmetrized densities of states were calculated.

Results

Conclusion