Summary
The lattice dynamics of Li-intercalated FePS3 has been studied by means of a force constant model generated by a set of short-range two-body potentials. The intercalated phases have been investigated for the three stoichiometric compositions: Li0.5FePS3, LiFePS3, Li1.5FePS3, with the aim of analysing the evolution of the host lattice normal modes as a function of the concentration, and of finding the dispersion of the new phonon branches induced by lithium. The above special values of lithium concentration have been chosen because the size of the unit cell keeps the same as in the host material. The force constants are fitted to the infrared data and the phonon dispersion curves and the phonon energy densities have been calculated. A spectroscopic method for monitoring lithium migration in the host material is proposed.
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References
A. H. Thompson andM. S. Whittingham:Mater. Res. Bull.,12, 741 (1977).
A. Le Méhauté, G. Ouvrard, R. Brec andJ. Rouxel:Mater. Res. Bull.,12, 1191 (1977).
R. Clement andM. L. H. Green:J. Chem. Soc. Dalton Trans.,10, 1566 (1979).
R. Brec, D. M. Schleich, G. Ouvrard, A. Louisy andJ. Rouxel:Inorg. Chem.,18, 1814 (1979).
P. J. S. Foot andN. G. Shaker:Mater. Res. Bull.,18, 173 (1983).
M. Barj, G. Lucazeau andR. Clèment:J. Mol. Struct.,79, 329 (1982).
M. Barj andG. Lucazeau:Solid State Ionics,9–10, 475 (1983).
S. Yamanaka, H. Kobayashi andT. Tanaka:Chem. Lett. Jpn., 329 (1976).
R. Brec, G. Ouvrard, A. Louisy, J. Rouxel andA. Le Méhauté:Solid State Ionics,6, 185 (1982).
M. H. Whangbo, R. Brec, G. Ouvrard andJ. Rouxel:Inorg. Chem.,24, 2459 (1985).
M. Bernasconi, G. L. Marra, G. Benedek, L. Miglio, M. Jouanne, C. Julien, M. Scagliotti andM. Balkanski:Phys. Rev. B,38, 12089 (1988).
R. W. G. Wychoff:Crystal Structures, Vol.2 (J. Wiley and Sons, New York, N.Y., 1984), p. 55.
W. Klingen: Thesis, Universität Hohenheim (1969).
W. Klingen, G. Eulenberger andH. Hahn:Z. Anorg. Allg. Chem.,401, 97 (1973).
W. Klingen, R. Ott andH. Hahn:Z. Anorg. Allg. Chem.,396, 271 (1973).
R. Brec, G. Ouvrard andJ. Rouxel:Mater. Res. Bull.,20, 1257 (1985);G. Ouvrard, R. Brec andJ. Rouxel:Mater. Res. Bull.,20, 1181 (1983).
P. J. S. Foot andB. A. Nevett:Solid State Ionics,8, 173 (1983).
Y. Chabre, P. Segransan, C. Berthier andG. Ouvrard:Fast Ion Transport in Solids, edited byP. Vashista, J. N. Mundy andG. H. Shenoy (North-Holland, Amsterdam, 1979), p. 221.
H. Mercier: These d'Etat, Université de Paris Sud, Orsay (1985).
N. Kurita andK. Nakao:J. Phys. Soc. Jpn.,56, 4455 (1987).
A. A. Maradudin, E. W. Montroll, G. H. Weiss andI. P. Ipatova:Theory of Lattice Dynamics in the Harmonic Approximation (Academic Press, New York, N.Y., 1971).
G. Benedek, G. L. Marra, L. Miglio, M. Scagliotti andM. Jouanne:Phys. Scr.,37, 759 (1988).
M. Born andK. Huang:Dynamical Theory of Crystal Lattices (Oxford University Press, Oxford, 1954), p. 247.
M. Tosi:Solid State Phys.,16, 1 (1964).
M. Scagliotti, M. Jouanne, M. Balkanski andG. Ouvrard:Solid State Commun.,54, 291 (1985).
M. Scagliotti, M. Jouanne, M. Balkanski, G. Ouvrard andG. Benedek:Phys. Rev. B,35, 7097 (1987).
M. Balkanski, M. Jouanne, G. Ouvrard andM. Scagliotti:J. Phys. C,20, 4397 (1987).
C. Sourisseau, J. P. Forgerit andY. Mathey:Solid State Chem.,49, 134 (1983).
Y. Mathey, R. Clement, C. Sourisseau andG. Lucazeau:Inorg. Chem.,19, 273 (1980).
M. Barj, C. Sourisseau, G. Ouvrard andR. Brec:Solid State Ionics,11, 179 (1983).
R. Mercier, J. P. Malugani, B. Fahys, J. Douglade andG. Robert:J. Solid State Chem.,43, 151 (1982).
G. A. Fatseas, M. Evain, G. Ouvrard, R. Brec andM. H. Whangbo:Phys. Rev. B,35, 3082 (1987).
R. Brec andG. Ouvrard: private communications.
C. Horie, M. Maeda andY. Kuramoto:Phisica B,99, 430 (1980).
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Bernasconi, M., Benedek, G. & Miglio, L. Phonon dispersion curves and densities of lithium-intercalated iron phosphorus trisulfide. Il Nuovo Cimento D 12, 1061–1078 (1990). https://doi.org/10.1007/BF02451950
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DOI: https://doi.org/10.1007/BF02451950