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Phonon Spectrum and Elastic Properties of Y2Sn2O7

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Abstract

The phonon spectrum of yttrium stannate Y2Sn2O7 is calculated within a general ab initio approach and the frequencies and types of IR and Raman modes are determined. The degree of involvement of ions in phonon modes is determined from the analysis of displacement vectors calculated ab initio. The elastic constants and hardness of Y2Sn2O7 are calculated. The impurity ion–ligand distance in Y2Sn2O7:Yb3+, Y2Sn2O7:Eu3+, Lu2Sn2O7:Yb3+, Nd2Sn2O7:Gd3+, and Nd2Sn2O7:Tb3+ impurity centers is calculated.

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ACKNOWLEDGMENTS

This study was performed using the Uran supercomputer at the N.N. Krasovskii Institute of Mathematics and Mechanics of the Ural Branch of the Russian Academy of Sciences.

Funding

This work was supported by the Ministry of Science and Higher Education of the Russian Federation (project no. FEUZ-2020-0054 and theme “Kvant,” project no. АААА-А18-118020190095-4).

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Authors and Affiliations

  1. Ural Federal University Named after the First President of Russia B.N. Yeltsin, 620002, Ekaterinburg, Russia

    V. A. Chernyshev, K. I. Glukhov & P. A. Agzamova

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  1. V. A. Chernyshev
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  2. K. I. Glukhov
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  3. P. A. Agzamova
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Correspondence to V. A. Chernyshev.

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Translated by M. Basieva

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Chernyshev, V.A., Glukhov, K.I. & Agzamova, P.A. Phonon Spectrum and Elastic Properties of Y2Sn2O7. Opt. Spectrosc. 129, 1074–1083 (2021). https://doi.org/10.1134/S0030400X21080051

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