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IR-active phonons of the LiNbGeO5 superionic crystal
Russian version
Yakovlev V. A.1, Novikova N. N.1, Molchanova A. D.1, Chernyshev V. A.2, Klimin S. A.1
1Institute of Spectroscopy, Russian Academy of Sciences, Troitsk, Moscow, Russia
2Ural Federal University after the first President of Russia B.N. Yeltsin, Yekaterinburg, Russia
Email: klimin@isan.troitsk.ru
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The infrared (IR) reflectance spectra of the LiNbGeO5 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(ν) for three polarizations along the crystallographic axes were modeled using dispersion analysis. The parameters of IR-active phonons of symmetry B1u,B2u and B3u 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: LiNbGeO5, IR reflection spectroscopy, dispersion analysis, first principles calculation, group-theoretic analysis.
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