Journal
PHYSICAL REVIEW B
Volume 90, Issue 9, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.90.094303
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Funding
- CIW
- CDAC
- UNLV
- LLNL through DOE-NNSA
- LLNL through DOE-BES
- LLNL through NSF
- DOE-BES [DE-AC02-06CH11357]
- EFree, an Energy Frontier Research Center [DE-SG0001057]
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Valence fluctuations of Fe2+ and Fe3+ were studied in a solid solution of LixFePO4 by nuclear resonant forward scattering of synchrotron x rays while the sample was heated in a diamond-anvil pressure cell. The spectra acquired at different temperatures and pressures were analyzed for the frequencies of valence changes using the Blume-Tjon model of a system with a fluctuating Hamiltonian. These frequencies were analyzed to obtain activation enthalpies and an activation volume for polaron hopping. There was a large suppression of hopping frequency with pressure, giving an activation volume for polaron hopping of 5.8 +/- 0.7 angstrom(3). This large, positive value is typical of ion diffusion, which indicates correlated motions of polarons and Li+ ions that alter the dynamics of both. Monte Carlo simulations were used to estimate the strength of the polaron-ion interaction energy.
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