Infrared-active optical phonons in LiFePO4 single crystals

T. N. Stanislavchuk; D. S. Middlemiss; J. S. Syzdek; Y. Janssen; R. Basistyy; A. A. Sirenko; P. G. Khalifah; C. P. Grey; R. Kostecki

doi:10.1063/1.4995282

Infrared-active optical phonons in LiFePO₄ single crystals

T. N. Stanislavchuk
, D. S. Middlemiss
, J. S. Syzdek
, Y. Janssen
, R. Basistyy
, A. A. Sirenko
, P. G. Khalifah
, C. P. Grey
, R. Kostecki

Chemistry

New Jersey Institute of Technology
University of Cambridge
Lawrence Berkeley National Laboratory
Stony Brook University

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

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.

Original language	English
Article number	045107
Journal	Journal of Applied Physics
Volume	122
Issue number	4
DOIs	https://doi.org/10.1063/1.4995282
State	Published - Jul 28 2017

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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.",

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doi = "10.1063/1.4995282",

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T1 - Infrared-active optical phonons in LiFePO4 single crystals

AU - Stanislavchuk, T. N.

AU - Middlemiss, D. S.

AU - Syzdek, J. S.

AU - Janssen, Y.

AU - Basistyy, R.

AU - Sirenko, A. A.

AU - Khalifah, P. G.

AU - Grey, C. P.

AU - Kostecki, R.

PY - 2017/7/28

Y1 - 2017/7/28

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.

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.

UR - https://www.scopus.com/pages/publications/85026553169

U2 - 10.1063/1.4995282

DO - 10.1063/1.4995282

M3 - Article

AN - SCOPUS:85026553169

SN - 0021-8979

VL - 122

JO - Journal of Applied Physics

JF - Journal of Applied Physics

IS - 4

M1 - 045107

ER -

Infrared-active optical phonons in LiFePO₄ single crystals

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