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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)
 

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.
Funding agency Grant number
Ministry of Science and Higher Education of the Russian Federation FFUU-2022-0003
FEUZ-2023-0017
Russian Science Foundation 19-72-10132
Work of authors V.A.Ya., N.N.N. and S.A.K. carried out as part of the state assignment No. FFUU-2022-0003. V.A.Ch. thanks the project No. FEUZ-2023-0017 of the Ministry of Education and Science RF. This study by A.D.M. was supported by grant No. 19-72-10132 from the Russian Science Foundation.
Received: 24.04.2024
Revised: 24.04.2024
Accepted: 20.05.2024
Bibliographic databases:
Document Type: Article
Language: Russian
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
Citation in format AMSBIB
\Bibitem{YakNovMol24}
\by V.~A.~Yakovlev, N.~N.~Novikova, A.~D.~Molchanova, V.~A.~Chernyshev, S.~A.~Klimin
\paper IR-active phonons of the LiNbGeO$_5$ superionic crystal
\jour Fizika Tverdogo Tela
\yr 2024
\vol 66
\issue 6
\pages 981--987
\mathnet{http://mi.mathnet.ru/ftt10344}
\elib{https://elibrary.ru/item.asp?id=67917446}
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