相关论文: Commensurate-incommensurate solid transition in th…
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 of the first layer of $^4$He adsorbed on a single graphene sheet has been calculated by a series of diffusion Monte Carlo calculations including corrugation effects. As the number of C-He interactions is reduced with…
Path-integral Monte Carlo calculations have been performed to study the $^4$He adsorption on both sides of a single $\alpha$-graphyne sheet. For investigation of the interlayer correlation between the upper and the lower monolayer of $^4$He…
Path-integral Monte Carlo calculations were performed to study the adsorption of $^4$He atoms on $\alpha$-graphyne. We find that one $^4$He atom can be embedded onto the in-plane center of each hexagon of the graphyne. In the first $^4$He…
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…
We report high-precision heat-capacity measurements of submonolayer $^3$He adsorbed on highly crystalline graphite, revealing new aspects of the commensurate$-$incommensurate transition. Below 1\~K, two possible striped domain-wall phases…
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…
We have used the Path Integral Monte Carlo method to simulate a monolayer of molecular hydrogen on graphite above 1/3 submonolayer coverage. We find that at low temperature and as the coverage increases the system undergoes a series of…
We made heat-capacity measurements of two dimensional (2D) $^3$He adsorbed on graphite preplated with monolayer $^4$He in a wide temperature range (0.1 $\leq T \leq$ 80 mK) at densities higher than that for the 4/7 phase (= 6.8 nm$^{-2}$).…
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…
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,…
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…
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 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…
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…
A commensurate-incommensurate phase transition in bilayer graphene is investigated in the framework of the Frenkel-Kontorova model extended to the case of two interacting chains of particles. Analytic expressions are derived to estimate the…
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…
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…
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…
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…