1996
DOI: 10.1088/0953-8984/8/50/022
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A lattice-gas model for alkali-metal fullerides: face-centred-cubic structure

Abstract: A lattice-gas model is suggested for describing the ordering phenomena in alkali-metal fullerides of facecentered-cubic structure assuming that the electric charge of alkali ions residing in either octahedral or tetrahedral sites is completely screened by the first-neighbor C60 molecules. This approximation allows us to derive an effective ion-ion interaction. The van der Waals interaction between the ion and C60 molecule is characterized by introducing an additional site energy at the tetrahedral sites. This … Show more

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Cited by 4 publications
(3 citation statements)
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“…In the latter case the real solution is the one where Φ(c, q) reaches its maximum. Thus the cluster variation method gives us a unique way to evaluate the equilibrium value of c and q together with all the related quantities as a function of K. Besides it, one can derive approximate phase diagrams if the actual model has several solutions with different symmetries, as it happens frequently in solid state systems [examples and further references are given in [144,145]]. In evolutionary games on lattices the average total payoff can be given as…”
Section: Consequences Of the Extremum Principlesmentioning
confidence: 99%
See 1 more Smart Citation
“…In the latter case the real solution is the one where Φ(c, q) reaches its maximum. Thus the cluster variation method gives us a unique way to evaluate the equilibrium value of c and q together with all the related quantities as a function of K. Besides it, one can derive approximate phase diagrams if the actual model has several solutions with different symmetries, as it happens frequently in solid state systems [examples and further references are given in [144,145]]. In evolutionary games on lattices the average total payoff can be given as…”
Section: Consequences Of the Extremum Principlesmentioning
confidence: 99%
“…Finally we mention that the sublattice-dependent local site energy plays an important role in those lattice gas models where two types of sites are distinguished. For example, in the crystals of Pd-H system [164], CaF 2 [165], and alkali-fullerides [145] the mobile atoms/ions can stay both in the tetrahedral and octahedral sites of the face-centered cubic lattice formed by the rigid components.…”
Section: Systems Equivalent To Ising Modelsmentioning
confidence: 99%
“…In a previous paper [1] (henceforth referred to as I) we have introduced a lattice-gas model to describe the ordering of alkali atoms intercalated into solid C 60 of face-centred-cubic (FCC) structure. This model is now adapted to a body-centred-cubic (BCC) host, in view of the fact that these structures are also observed in experiments (see the reviews in references [2,3]).…”
Section: Introductionmentioning
confidence: 99%