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Optics and Spectroscopy, 2021 Volume 129, Issue 8, Pages 1027–1036 (Mi os81)

Spectroscopy of condensed matter

Phonon spectrum and elastic properties of Y$_{2}$Sn$_{2}$O$_{7}$

V. A. Chernysheva, K. I. Glukhova, P. A. Agzamovaab

a Ural Federal University named after the First President of Russia B. N. Yeltsin, Ekaterinburg
b Institute of Metal Physics, Ural Division of the Russian Academy of Sciences, Ekaterinburg

Abstract: The phonon spectrum of yttrium stannate Y$_{2}$Sn$_{2}$O$_{7}$ 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 Y$_{2}$Sn$_{2}$O$_{7}$ are calculated. The impurity ion–ligand distance in Y$_{2}$Sn$_{2}$O$_{7}$ : Yb$^{3+}$, Y$_{2}$Sn$_{2}$O$_{7}$ : Eu$^{3+}$, Lu$_{2}$Sn$_{2}$O$_{7}$ : Yb$^{3+}$, Nd$_{2}$Sn$_{2}$O$_{7}$ : Gd$^{3+}$, Nd$_{2}$Sn$_{2}$O$_{7}$ : Tb$^{3+}$ impurity centers is calculated.

Keywords: rare-earth stannates, phonons, elastic constants, rare-earth impurity centers, hybrid functionals.

Received: 24.03.2021
Revised: 19.04.2021
Accepted: 27.04.2021

DOI: 10.21883/OS.2021.08.51198.2056-21


 English version:
Optics and Spectroscopy, 2021, 129:10, 1074–1083

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© Steklov Math. Inst. of RAS, 2024