Abstract:
The phonon spectrum of yttrium stannate Y22Sn22O77 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 Y22Sn22O77 are calculated. The impurity ion–ligand distance in Y22Sn22O77 : Yb3+3+, Y22Sn22O77 : Eu3+3+, Lu22Sn22O77 : Yb3+3+, Nd22Sn22O77 : Gd3+3+, Nd22Sn22O77 : Tb3+3+ impurity centers is calculated.
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).
Citation:
V. A. Chernyshev, K. I. Glukhov, P. A. Agzamova, “Phonon spectrum and elastic properties of Y22Sn22O77”, Optics and Spectroscopy, 129:8 (2021), 1027–1036; Optics and Spectroscopy, 129:10 (2021), 1074–1083
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