Simulation of static and dynamic lattice properties of Yb-doped gadolinium oxide

The results of studying the effect of Yb ions on the lattice structure and the vibrational spectrum of cubic Gd2O3 are presented. The study was performed on the basis of modeling using a shell model. The calculations of equilibrium structures and phonon local symmetrized densities of states were car...

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Bibliographic Details
Published inMaterials today : proceedings Vol. 18; pp. 520 - 524
Main Authors Kislov, A.N., Zatsepin, A.F.
Format Journal Article
LanguageEnglish
Published Elsevier Ltd 2019
Subjects
Defect structure
Gadolinium oxide
Localized vibrations
Yb impurity
Yb impurity
Defect structure
Gadolinium oxide
Localized vibrations
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Summary:The results of studying the effect of Yb ions on the lattice structure and the vibrational spectrum of cubic Gd2O3 are presented. The study was performed on the basis of modeling using a shell model. The calculations of equilibrium structures and phonon local symmetrized densities of states were carried out. The frequencies of localized vibrations of A- and B-symmetries induced by Yb impurity which occupies a position with the C2 site symmetry are also calculated. The results of the calculations are compared with the experimental data.
ISSN:2214-7853
2214-7853
DOI:10.1016/j.matpr.2019.06.243