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This article is cited in 5 scientific papers (total in 5 papers)
Dielectrics
Ab initio calculation of the structure and optical properties of lead oxyhalides Pb$_{3}$O$_{2}X_{2}$ ($X$ = Cl, Br, I)
D. O. Zakir'yanova, V. A. Chernysheva, I. D. Zakiryanovaab, T. V. Yaroslavtsevab a Ural Federal University named after the First President of Russia B. N. Yeltsin, Ekaterinburg
b Institute of High-Temperature Electrochemistry, RAS
Abstract:
Using ab initio methods, we obtained information on the crystal structure, calculated the phonon spectra, and determined the optical properties of oxyhalides Pb$_{3}$O$_{2}$Br$_{2}$ and Pb$_{3}$O$_{2}$I$_{2}$. A compound of Pb$_{3}$O$_{2}$Br$_{2}$ is synthesized, and its phonon spectra are recorded. The experimentally observed vibrational bands are assigned. A comparative analysis of the crystal lattice parameters, the phonon spectra, and the anisotropy parameters of lead oxyhalides Pb$_{3}$O$_{2}X_{2}$ ($X$ = Cl, Br, I) is performed.
Received: 07.06.2016 Revised: 08.09.2016
Citation:
D. O. Zakir'yanov, V. A. Chernyshev, I. D. Zakiryanova, T. V. Yaroslavtseva, “Ab initio calculation of the structure and optical properties of lead oxyhalides Pb$_{3}$O$_{2}X_{2}$ ($X$ = Cl, Br, I)”, Fizika Tverdogo Tela, 59:4 (2017), 695–705; Phys. Solid State, 59:4 (2017), 710–721
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https://www.mathnet.ru/eng/ftt9607 https://www.mathnet.ru/eng/ftt/v59/i4/p695
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