@article{8a124e59f4db4ab5a8865d97caeb67b1,
title = "Infrared-active optical phonons in LiFePO4 single crystals",
abstract = "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.",
author = "Stanislavchuk, {T. N.} and Middlemiss, {D. S.} and Syzdek, {J. S.} and Y. Janssen and R. Basistyy and Sirenko, {A. A.} and Khalifah, {P. G.} and Grey, {C. P.} and R. Kostecki",
note = "Funding Information: The authors are thankful to M. Kotelyanskii and G. L. Carr for useful discussions and for help with the measurements and data analysis. Experimental work at NJIT was supported by the U.S. Department of Energy under Contract No. DE-FG02-07ER46382. The use of the National Synchrotron Light Source, and the computer cluster of the Center for Functional Nanomaterials, Brookhaven National Laboratory, was supported by the U.S. Department of Energy under Contract No. DE-AC02-98CH10886. This Research was supported as part of the Northeastern Center for Chemical Energy Storage (NECCES), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Basic Energy Sciences under Award No. DE-SC0001294, including matching support from NYSTAR-NYSDED. Publisher Copyright: {\textcopyright} 2017 Author(s).",
year = "2017",
month = jul,
day = "28",
doi = "10.1063/1.4995282",
language = "English (US)",
volume = "122",
journal = "Journal of Applied Physics",
issn = "0021-8979",
publisher = "American Institute of Physics Publising LLC",
number = "4",
}