Infrared-active optical phonons in LiFePO4 single crystals
Abstract
Infrared-active optical phonons were studied in olivine LiFePO oriented single crystals by means of both rotating analyzer and rotating compensator spectroscopic ellipsometry in the spectral range between 50 and 1400 cm . 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 FePO crystal were measured from the delithiated ab-surface of the LiFePO 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 LiFePO and FePO . 4 4 4 4 4 -1
- Authors:
-
- New Jersey Inst. of Technology, Newark, NJ (United States)
- Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, United Kingdom
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Stony Brook Univ., NY (United States)
- Brookhaven National Lab. (BNL), Upton, NY (United States); Stony Brook Univ., NY (United States)
- Univ. of Cambridge (United Kingdom)
- Publication Date:
- Research Org.:
- Brookhaven National Laboratory (BNL), Upton, NY (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1425022
- Alternate Identifier(s):
- OSTI ID: 1372950; OSTI ID: 1772905
- Report Number(s):
- BNL-200004-2018-JAAM
Journal ID: ISSN 0021-8979; TRN: US1802004
- Grant/Contract Number:
- SC0012704; AC02-05CH11231; AC02-98CH10886; FG02-07ER46382; SC0001294
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Applied Physics
- Additional Journal Information:
- Journal Volume: 122; Journal Issue: 4; Journal ID: ISSN 0021-8979
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
Citation Formats
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. United States: N. p., 2017.
Web. doi:10.1063/1.4995282.
Stanislavchuk, T. N., Middlemiss, D. S., Syzdek, J. S., Janssen, Y., Basistyy, R., Sirenko, A. A., Khalifah, P. G., Grey, C. P., & Kostecki, R. Infrared-active optical phonons in LiFePO4 single crystals. United States. https://doi.org/10.1063/1.4995282
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. Fri .
"Infrared-active optical phonons in LiFePO4 single crystals". United States. https://doi.org/10.1063/1.4995282. https://www.osti.gov/servlets/purl/1425022.
@article{osti_1425022,
title = {Infrared-active optical phonons in LiFePO4 single crystals},
author = {Stanislavchuk, T. N. and Middlemiss, D. S. and Syzdek, J. S. and Janssen, Y. and Basistyy, R. and Sirenko, A. A. and Khalifah, P. G. and Grey, C. P. and Kostecki, R.},
abstractNote = {Infrared-active optical phonons were studied in olivine LiFePO oriented single crystals by means of both rotating analyzer and rotating compensator spectroscopic ellipsometry in the spectral range between 50 and 1400 cm . 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 FePO crystal were measured from the delithiated ab-surface of the LiFePO 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 LiFePO and FePO . 4 4 4 4 4 -1},
doi = {10.1063/1.4995282},
journal = {Journal of Applied Physics},
number = 4,
volume = 122,
place = {United States},
year = {Fri Jul 28 00:00:00 EDT 2017},
month = {Fri Jul 28 00:00:00 EDT 2017}
}
Web of Science
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Works referencing / citing this record:
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