Etude vibrationnelle des monophosphates SrM2(PO4)2 avec M=Co, Ni

Nejjar, R.; Rghioui, L.; Benarafa, L.; Knidiri, M.; Lorriaux, A.; Wallart, F.

doi:10.1016/s1386-1425(02)00039-2

Cited by 1 publication

(1 citation statement)

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“…Initially, the force constants were assumed to have the same order of magnitude as the values found for SrNi 2 PO 4 2 . 18 Those values were modified to fit the set of observed wavenumbers of Fomin et al, 13 within an average deviation of 5%. In this comparison, the room temperature Raman data was employed rather than the data acquired at 10 K, owing to the small differences between them.…”

Section: Normal Coordinate Analysismentioning

confidence: 99%

Phonon calculation on olivine-like LiMPO4 (M = Ni, Co, Fe) and Raman scattering of the iron-containing compound

Paraguassu

Freire

Lemos

et al. 2005

J. Raman Spectrosc.

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The phonon properties of the lithium transition metal phosphates LiMPO 4 (M = Ni, Co, Fe) with the olivine structure were studied using a computational simulation. The calculation employs a normal coordinate analysis based on the Wilson's FG matrix method. The method applied to LiNiPO 4 allowed for the fitting of a set of stretching force constants and angle bond strengths that resulted in Raman wavenumbers comparing with experiments within a 5% average deviation. This set was assumed fixed for the isostructural Co-containing and Fe-containing compounds, as a first approximation. The calculated LiCoPO 4 Raman wavenumbers also compared well with experimental values (average deviation 9%). Using this procedure, the 36 Raman wavenumbers of LiFePO 4 were predicted and assigned to vibrational motions and symmetry species of the crystal group. LiFePO 4 unpolarized Raman data agree very well with the predicted values.

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Section: Normal Coordinate Analysismentioning

confidence: 99%