TY - JOUR AU - T N Stanislavchuk AU - D S Middlemiss AU - Jaroslaw S Syzdek AU - Y Janssen AU - R Basistyy AU - A A Sirenko AU - Peter G Khalifah AU - Clare P Grey AU - Robert Kostecki AB -

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.

BT - Journal of Applied Physics DA - 07/2019 DO - 10.1063/1.4995282 IS - 4 LA - eng N2 -

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.

PY - 2017 EP - 045107 ST - Journal of Applied Physics T2 - Journal of Applied Physics TI - Infrared-active optical phonons in LiFePO4 single crystals VL - 122 SN - 0021-8979 ER -