Fluid and registered phases in the second layer of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mmultiscripts><mml:mi>He</mml:mi><mml:mprescripts/><mml:none/><mml:mn>3</mml:mn></mml:mmultiscripts></mml:math>on graphite

Gordillo, M. C.; Boronat, J.

doi:10.1103/physrevb.97.201410

Phys. Rev. B

2018

DOI: 10.1103/physrevb.97.201410

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Fluid and registered phases in the second layer ofHe3on graphite

M. C. Gordillo

J. Boronat

Abstract: A quantum Monte Carlo approach, considering all the corrugation effects, was used to calculate the complete phase diagram of the second 3 He layer adsorbed on graphite. We found that a firstlayer triangular solid was in equilibrium with a gas in the second layer. At a surface density 0.166 ± 0.001Å −2 , this fluid changes into two first-layer registered phases: 4/7 and 7/12 solids. The 7/12 arrangement transforms into an incommensurate triangular structure of ρ = 0.189 ± 0.001 A −2 upon further helium loading.… Show more

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Cited by 3 publications

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“…The first layer of this arrangement would be then compressed up to σ = 0.186 A −2 , that is again in equilibrium with a triangular solid of density 0.188Å −2 . This is similar to what happens in a 3 He double layer system on graphite [23], where both the 4/7 and 7/12 phases are stable.…”

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Superfluid and Supersolid Phases ofHe4on the Second Layer of Graphite

Gordillo

Boronat

2020

Phys. Rev. Lett.

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We revisited the phase diagram of the second layer of 4 He on top of graphite using quantum Monte Carlo methods. Our aim was to explore the existence of the novel phases suggested recently in experimental works, and determine their properties and stability limits. We found evidence of a superfluid quantum phase with hexatic correlations, induced by the corrugation of the first Helium layer, and a quasi-two-dimensional supersolid corresponding to a 7/12 registered phase. The 4/7 commensurate solid was found to be unstable, while the triangular incommensurate crystals, stable at large densities, were normal.

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Superfluid and Supersolid Phases ofHe4on the Second Layer of Graphite

Gordillo

Boronat

2020

Phys. Rev. Lett.

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3He adsorbed on molecular hydrogen surfaces

Gordillo,

Boronat

2024

The Journal of Chemical Physics

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Using a diffusion Monte Carlo technique, we calculated the phase diagram of 3He adsorbed on a first solid layer of a molecular hydrogen isotope (H2, HD, and D2) on top of graphite. The results are qualitatively similar in all cases: a two-dimensional gas spanning from the infinite dilution limit to a second-layer helium density of 0.048 ± 0.004 Å−2. That gas is in equilibrium with a 7/12 commensurate structure, more stable than any incommensurate triangular solid of similar density. These findings are in reasonably good agreement with available experimental data.

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Symmetry-changing commensurate-incommensurate solid transition in the He4 monolayer on 6,6,12-graphyne

et al. 2019

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Path-integral Monte Carlo calculations have been performed to study the 4 He adsorption on γ-graphyne, a planar network of benzene rings connected by acetylene bonds. Assuming the 4 Hesubstrate interaction described by a pairwise sum of empirical 4 He-carbon interatomic potentials, we find that unlike α-graphyne, a single sheet of γ-graphyne is not permeable to 4 He atoms in spite of its large surface area. One-dimensional density distributions computed as a function of the distance from the graphyne surface reveal a layer-by-layer growth of 4 He atoms. A partially-filled 4 He monolayer is found to exhibit different commensurate solid structures depending on the helium coverage; it shows a C 2/3 commensurate structure at an areal density of 0.0491Å −2 , a C 3/3 structure at 0.0736Å −2 , and a C 4/3 structure at 0.0982Å −2 . While the promotion to the second layer starts beyond the C 4/3 helium coverage, the first 4 He layer is found to form an incommensurate triangular solid when compressed with the development of the second layer. PACS numbers: 67.25.bd, 67.25.bh, For the past few decades, a system of 4 He atoms adsorbed on a substrate has been intensively studied to investigate physical properties of low-dimensional quantum fluids. Carbon allotropes have often been chosen as substrates for this purpose because they provide strong enough interactions for 4 He adsorbates to show multiple distinct layered structures [1]. As a result of the interplay between 4 He-4 He and 4 He-substrate interaction, these helium adlayers are known to exhibit rich phase diagrams including various commensurate and incommensurate solids. On the surface of graphite, a monolayer of 4 He atoms is crystallized to a C 1/3 commensurate solid at an areal density of 0.0636Å −2 and goes through various domain structures before freezing into an incommensurate triangular solid as the helium coverage increases [2,3] . Similar quantum phase transitions were predicted for the 4 He monolayer on a single graphene sheet [4][5][6]. While no superfluidity has been observed in the first 4 He layer, the second layer on graphite does show finite superfluid response at intermediate helium coverages as first revealed by torsional oscillator measurements of Crowell and Reppy [3]. Whether this second-layer superfluid phenomenon is related to two-dimensional supersolidity is still an ongoing issue pursued heavily by some experimentalists.The 4 He adsorption on the surface of a carbon allotrope other than graphite or graphene has recently been investigated. While 4 He atoms adsorbed on the interstitials or the groves of carbon nanotube bundles showed characteristics of one-dimensional quantum fluid [7,8], a series of theoretical calculations predicted well-distinct layered structures for 4 He atoms adsorbed on the outer surfaces of fullerene molecules with each near-spherical helium layer exhibiting various quantum states depending on the number of 4 He adatoms [9][10][11][12]. More recently, graphynes, sp-sp 2 hybridized two-dimensional networks of carbon atoms...

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Fluid and registered phases in the second layer ofHe3on graphite

Cited by 3 publications

References 33 publications

Superfluid and Supersolid Phases ofHe4on the Second Layer of Graphite

Superfluid and Supersolid Phases ofHe4on the Second Layer of Graphite

3He adsorbed on molecular hydrogen surfaces

Symmetry-changing commensurate-incommensurate solid transition in the He4 monolayer on 6,6,12-graphyne

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