NDLI: $^{4}$He adsorption on a single C$_{40}$ molecule: Path integral Monte Carlo study

Content Provider	Springer Nature Link
Author	Park, Sungjin Kwon, Yongkyung
Copyright Year	2018
Abstract	Path-integral Monte Carlo calculations are performed to study the adsorption of $^{4}$He atoms on two different isomers of C$_{40}$: one with the D $_{2}$ symmetry and the other with the D $_{5d }$ symmetry. Here, we employ the $^{4}$He-C$_{40}$ interaction described by the sum of $^{4}$He-C interatomic pair potentials, which allows us to examine the $^{4}$He corrugations on the fullerene molecular surfaces. We first observe the layer-by-layer growth of $^{4}$He on both C$_{40}$ isomers, where the first layers are located at a distance of ~ 5.7 Å from the molecular centers. From the investigation of the angular $^{4}$He density profiles, we find that the $^{4}$He layers display different quantum states depending on the number of $^{4}$He adatoms N. Between N = 22 and N = 40, the first $^{4}$He layer on the D $_{2}$ isomer shows several different commensurate structures whereas the corresponding $^{4}$He layer on D $_{5d }$ undergoes a commensurate-to-incommensurate solid transition like the first $^{4}$He layer on graphite. As N increases, the superfluid responses of the first $^{4}$He layers on both isomers exhibit reentrant behavior with superfluidity being completely quenched at structurally-ordered states. In addition, the superfluid fraction of the first $^{4}$He layer is found to be about three times as large on D $_{2}$ as on D $_{5d }$ for the same number of $^{4}$He atoms. The different structural and superfluid properties of $^{4}$He adatoms depending on the isomeric type could provide an experimental way of selecting a specific C$_{40}$ isomer.
Starting Page	95
Ending Page	100
Page Count	6
File Format	PDF
ISSN	03744884
Journal	Journal of the Korean Physical Society
Volume Number	72
Issue Number	1
e-ISSN	19768524
Language	English
Publisher	The Korean Physical Society
Publisher Date	2018-01-07
Publisher Place	Seoul
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Fullerene Commensurate solid Adsorption Theoretical, Mathematical and Computational Physics Superfluid $^{4}$He Physics Particle and Nuclear Physics
Content Type	Text
Resource Type	Article
Subject	Physics and Astronomy

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