Phonons and Features Due to Ionic Conductivity in the Reflection Spectra of BiF3 Crystal

被引：0
作者：
Molchanova, A. D. [1 ]
Klimin, S. A. [1 ]
Chernyshev, V. A. [2 ]
Boldyrev, K. N. [1 ]
Valiev, A. R. [1 ,3 ]
Karimov, D. N. [4 ]
机构：
[1] Russian Acad Sci, Inst Spect, Troitsk 108840, Moscow, Russia
[2] Ural Fed Univ, Ekaterinburg 620002, Russia
[3] Natl Res Univ Higher Sch Econ, Fac Phys, Moscow 105066, Russia
[4] Russian Acad Sci, Shubnikov Inst Crystallog, FSRC Crystallog & Photon, Moscow 119333, Russia
来源：
OPTICS AND SPECTROSCOPY | 2024年 / 132卷 / 02期
基金：
俄罗斯科学基金会;
关键词：
IR spectroscopy; BiF3; ab initio calculation of phonon modes; ionic conductivity; FLUORIDE; BATTERIES;
D O I：
10.1134/S0030400X24020139
中图分类号：
O43 [光学];
学科分类号：
070207 ; 0803 ;
摘要：
Crystals of bismuth fluoride BiF3 grown from a melt were studied for the first time by optical spectroscopy methods and calculated from first principles in the phonon excitations region. A study of IR reflectance spectra in polarized light was carried out. The parameters of optical phonons were obtained. In the IR reflectance spectra, a low-frequency rise in the range <500 cm(-1), characteristic of conductive materials, is observed. The reflection spectra were analyzed within the framework of the Drude-Lorentz model, taking into account the contribution of ionic conductivity. An ab initio calculation of the phonon spectrum of a BiF3 crystal was carried out and the relationship between theoretical and experimental data was analyzed.
引用
收藏
页码：170 / 174
页数：5
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