3He Impurities in 4He Systems Adsorbed on Curved Substrates

Sartarelli, Salvador A.; Szybisz, L.; Hernández, E. S.

doi:10.1007/s10909-004-2893-0

Cited by 3 publications

(1 citation statement)

References 26 publications

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“…E A is taken from Ref. 7, while E C is approximated with the characteristic energy E C derived for graphite, E c = 16.2 eV. The resulting dispersion constant is AAC = 2002 K Å 9 .…”

Section: Three-body Correction To the Xe-xe Interactionmentioning

confidence: 99%

Ordering transition of gases adsorbed on aC60surface: Monte Carlo simulations and lattice-gas models

2008

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A monolayer of C 60 molecules on a flat surface provides an unusual substrate for the adsorption of simple gases. Both the lattice constant and the corrugation are larger than is typical of most traditional surfaces. These differences give rise to different phenomena, such as unusual commensurate phases. This paper discusses the ordering transition of various gases corresponding to the filling of the honeycomb array of threefold coordinated hollow sites located between C 60 molecules. That transition is investigated with Monte Carlo simulations and analytical ͑lattice-gas͒ models. The value of the resulting transition temperature ͑T c ͒ depends on the form assumed for the long-range interaction and the role of many-body effects, i.e., screening, due to gas molecules' close proximity to the C 60 layer. The effect of three-body interactions is found to be large in all cases considered.We have used grand canonical Monte Carlo simulations to predict the adsorption behavior of Xe on the C 60 surface. The method, identical to that used in our previous study of this problem, 10 requires two input potentials. One is the Xe-Xe interaction, for which we have used the venerable Lennard-Jones ͑LJ͒ interaction, with parameters = 4.1 Å and / k B = 221 K, respectively. The other is the Xe-C 60 interaction, which we take to have the form PHYSICAL REVIEW B 78, 205417 ͑2008͒

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“…E A is taken from Ref. 7, while E C is approximated with the characteristic energy E C derived for graphite, E c = 16.2 eV. The resulting dispersion constant is AAC = 2002 K Å 9 .…”

Section: Three-body Correction To the Xe-xe Interactionmentioning

confidence: 99%

Ordering transition of gases adsorbed on aC60surface: Monte Carlo simulations and lattice-gas models

2008

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Adsorption on Fullereness

Suárez-Garcı́a

Martı́nez-Alonso

Tascón

2008

Adsorption by Carbons

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Commensurate-incommensurate transition of 4He adsorbed on a single C60 molecule

Shin

Kwon

2012

The Journal of Chemical Physics

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Path-integral Monte Carlo calculations have been performed to study (4)He adsorption on a single C(60) molecule. Helium corrugations on the fullerene molecular surface are incorporated with the (4)He-C(60) interaction described by the sum of all (4)He-C interatomic pair potentials. Radial density distributions show a layer-by-layer growth of (4)He with the first adlayer being located at a distance of ~6.3 Å from the center of the C(60) molecule. The monolayer shows different quantum states as the number of (4)He adatoms N varies. For N = 32, we find a commensurate solid, with each of the 32 adsorption sites on the molecular surface being occupied by a single (4)He atom. Various domain-wall structures are observed as more (4)He atoms are added and the first layer crystallizes into an incommensurate solid when it is completely filled. This commensurate-incommensurate transition of the helium monolayer is found to be accompanied by re-entrant superfluid response at a low temperature of 0.31 K with the superfluidity being totally quenched at N = 32, 44, and 48. Finally, the different quantum states observed in the helium monolayer around C(60) are compared with phase diagrams proposed for the corresponding layer on a graphite surface.

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3He Impurities in 4He Systems Adsorbed on Curved Substrates

Cited by 3 publications

References 26 publications

Ordering transition of gases adsorbed on aC60surface: Monte Carlo simulations and lattice-gas models

Ordering transition of gases adsorbed on aC60surface: Monte Carlo simulations and lattice-gas models

Adsorption on Fullereness

Commensurate-incommensurate transition of 4He adsorbed on a single C60 molecule

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