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Fizika Tverdogo Tela, 2024, Volume 66, Issue 6, Pages 981–987 DOI: https://doi.org/10.61011/FTT.2024.06.58255.103
(Mi ftt10344)
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Dielectrics
IR-active phonons of the LiNbGeO$_5$ superionic crystal
V. A. Yakovleva, N. N. Novikovaa, A. D. Molchanovaa, V. A. Chernyshevb, S. A. Klimina a Institute of Spectroscopy, Russian Academy of Sciences, Troitsk, Moscow, Russia
b Ural Federal University named after the First President of Russia B. N. Yeltsin, Yekaterinburg, Russia
DOI:
https://doi.org/10.61011/FTT.2024.06.58255.103
Abstract:
The infrared (IR) reflectance spectra of the LiNbGeO$_5$ superionic crystal have been studied. The crystal belongs to the orthorhombic syngony, the space group $Pnma$. Measurements in polarized light made it possible to separate phonons by symmetry in accordance with the selection rules. The spectral dependences of the reflectivity $R(\nu)$ for three polarizations along the crystallographic axes were modeled using dispersion analysis. The parameters of IR-active phonons of symmetry $B_{1u}$, $B_{2u}$ and $B_{3u}$ are obtained. A group-theoretical analysis of the vibrational spectrum has been performed. The frequency dependences of the complex dielectric constant and the loss function are calculated. The frequencies of IR-active phonons are calculated from the first principles. The experimental and calculated frequencies of IR-active phonons are close to each other. Inverted phonons have been detected.
Keywords:
LiNbGeO$_5$, IR reflection spectroscopy, dispersion analysis, first principles calculation, group-theoretic analysis.
Received: 24.04.2024 Revised: 24.04.2024 Accepted: 20.05.2024
Citation:
V. A. Yakovlev, N. N. Novikova, A. D. Molchanova, V. A. Chernyshev, S. A. Klimin, “IR-active phonons of the LiNbGeO$_5$ superionic crystal”, Fizika Tverdogo Tela, 66:6 (2024), 981–987
Linking options:
https://www.mathnet.ru/eng/ftt10344 https://www.mathnet.ru/eng/ftt/v66/i6/p981
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