Related papers: 4He on a single graphene sheet
The low temperature phase diagram of $^4$He adsorbed on a single graphene sheet is studied by computer simulation of a system comprising nearly thousand helium atoms. In the first layer, two commensurate solid phases are observed, with…
The phase diagram at zero temperature of $^4$He adsorbed on an helium incommensurate triangular solid on top of a single graphene sheet has been obtained using the diffusion Monte Carlo method. We have found that, in accordance with…
The phase diagram of the first layer of H$_2$ adsorbed on top of a single graphene sheet has been calculated by means of a series of diffusion Monte Carlo (DMC) simulations. We have found that, as in the case of $^4$He, the ground state of…
Path-integral Monte Carlo calculations have been performed to study the $^4$He adsorption on $\gamma$-graphyne, a planar network of benzene rings connected by acetylene bonds. Assuming the $^4$He-substrate interaction described by a…
By using the diffusion Monte Carlo method, we obtained the full phase diagram of $^3$He on top of graphite preplated with a solid layer of $^4$He. All the $^4$He atoms of the substrate were explicitly considered and allowed to move during…
Using a diffusion Monte Carlo (DMC) technique, we calculated the phase diagrams of $^4$He and H$_2$ adsorbed on a single (5,5) carbon nanotube, one of the narrowest that can be obtained experimentally. For a single monolayer, when the…
The discovery of fullerenes has stimulated extensive exploration of the resulting behavior of adsorbed films. Our study addresses the planar substrates graphene-fluoride (GF) and graphane (GH) in comparison to graphene. We present initial…
Recent heat-capacity experiments show quite unambiguously the existence of a liquid $^3$He phase adsorbed on graphite. This liquid is stable at an extremely low density, possibly one of the lowest found in Nature. Previous theoretical…
We present results of a theoretical study of 4He films adsorbed on graphite, based on the continuous space worm algorithm. In the first layer, we find a domain-wall phase and a (7/16) registered structure between the commensurate (1/3) and…
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 first-layer triangular solid was in equilibrium with…
Using a diffusion Monte Carlo (DMC) 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…
The specific heat of a two-layer He-4 film adsorbed on a graphite substrate is estimated as a function of temperature by Quantum Monte Carlo simulations. The results are consistent with recent experimental observations, in that they broadly…
We revisit the problem of adsorption of a single He-4 layer on graphene, focusing on the commensurate C1/3 crystalline phase, specifically on whether it may possess a nonzero superfluid response, and on the existence of superfluid phases,…
We investigate theoretically the existence at low temperature of a commensurate (4/7) crystalline phase of a layer of either He isotope on top of a He-4 layer adsorbed on graphite. We make use of a recently developed, systematically…
The influence of attractive boron impurities, embedded on a graphene sheet, on the phase diagrams of $^4$He and H$_2$ adsorbed on top was studied using the diffusion Monte Carlo method. The doping of graphene was made by distributing the…
Using quantum Monte Carlo we have studied the superfluid density of the first layer of $^4$He and H$_2$ adsorbed on graphene and graphite. Our main focus has been on the equilibrium ground state of the system, which corresponds to a…
We study the low temperature properties of a single layer of parahydrogen adsorbed on graphene, by means of Quantum Monte Carlo simulations. The computed phase diagram is very similar to that of helium on the same substrate, featuring…
The phase diagrams of $^4$He adsorbed on the external surfaces of single armchair carbon nanotubes with radii in the range 3.42 -- 10.85 \AA \ are calculated using the diffusion Monte Carlo method. For nanotubes narrower than a (10,10) one,…
Quantum Monte Carlo simulations at zero temperature of a $^3$He monolayer adsorbed on graphite, either clean or preplated with $^4$He, unexpectedly point to a gas-liquid phase transition at a very low areal density of the order of…
We revisited the phase diagram of the second layer of 4He 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…