Infrared-active optical phonons in LiFePO4 single crystals

Authors

T. N. Stanislavchuk, New Jersey Institute of Technology
D. S. Middlemiss, University of Cambridge
J. S. Syzdek, Lawrence Berkeley National Laboratory
Y. Janssen, Stony Brook University
R. Basistyy, New Jersey Institute of Technology
A. A. Sirenko, New Jersey Institute of Technology
P. G. Khalifah, Stony Brook University
C. P. Grey, University of Cambridge
R. Kostecki, Lawrence Berkeley National Laboratory

Document Type

Article

Publication Date

7-28-2017

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.

Identifier

85026553169 (Scopus)

Publication Title

Journal of Applied Physics

External Full Text Location

https://doi.org/10.1063/1.4995282

e-ISSN

10897550

ISSN

00218979

Issue

4

Volume

122

Grant

DE-FG02-07ER46382

Fund Ref

U.S. Department of Energy

Recommended Citation

Stanislavchuk, T. N.; Middlemiss, D. S.; Syzdek, J. S.; Janssen, Y.; Basistyy, R.; Sirenko, A. A.; Khalifah, P. G.; Grey, C. P.; and Kostecki, R., "Infrared-active optical phonons in LiFePO4 single crystals" (2017). Faculty Publications. 9419.
https://digitalcommons.njit.edu/fac_pubs/9419