Infrared-active optical phonons in LiFePO4 single crystals

Infrared-active optical phonons were studied in olivine LiFePO4 oriented single crystals by means of both rotating analyzer and rotating compensator spectroscopic ellipsometry in the spectral range between 50 and 1400 cm−1. The eigenfrequencies, oscillator strengths, and broadenings of the phonon mo...

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Bibliographic Details
Published in:Journal of applied physics 2017-07, Vol.122 (4)
Main Authors: Stanislavchuk, T. N., Middlemiss, D. S., Syzdek, J. S., Janssen, Y., Basistyy, R., Sirenko, A. A., Khalifah, P. G., Grey, C. P., Kostecki, R.
Format: Article
Language:English
Subjects:
Applied physics
Crystal structure
Density functional theory
Harmonic oscillators
INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
Olivine
Oscillator strengths
Phonons
Resonant frequencies
Rotation
Single crystals
Spectroellipsometry
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Summary:Infrared-active optical phonons were studied in olivine LiFePO4 oriented single crystals by means of both rotating analyzer and rotating compensator spectroscopic ellipsometry in the spectral range between 50 and 1400 cm−1. The eigenfrequencies, oscillator strengths, and broadenings of the phonon modes were determined from fits of the anisotropic harmonic oscillator model to the data. Optical phonons in a heterosite FePO4 crystal were measured from the delithiated ab-surface of the LiFePO4 crystal and compared with the phonon modes of the latter. Good agreement was found between experimental data and the results of solid-state hybrid density functional theory calculations for the phonon modes in both LiFePO4 and FePO4.
ISSN:0021-8979
1089-7550
DOI:10.1063/1.4995282