相关论文: Zero-temperature phase diagram of D$_2$ physisorbe…
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…
The phase diagram of graphene decorated with magnetic adatoms distributed either on a single sublattice, or evenly over the two sublattices, is computed for adatom concentrations as low as $\sim1\%$. Within the framework of the $s$-$d$…
Motivated by the possibility of a strain tuning effect on electronic properties of graphene, the semimetal-Mott insulator transition process on the uniaxial honeycomb lattice is numerically studied using Determinant Quantum Monte Carlo. As…
Monolayers of the halomethane CF$_3$Br adsorbed on graphite have been investigated by x-ray diffraction. The layers crystallize in a commensurate triangular lattice. On cooling they approach a three-sublattice antiferroelectric pattern of…
Hydrogenation of graphene on the \alpha-quartz (0001) SiO_2 substrate is studied, considering different surface terminations in order to take into account the amorphic nature of the material. Our ab initio calculations show that the…
We report our results on the adsorption of noble gases such as argon, krypton and xenon on a graphene sheet, using Grand Canonical Monte Carlo (GCMC) simulations. We calculated the two-dimensional gas-liquid critical temperature for each…
The low-temperature properties of one and two layers of parahydrogen adsorbed on graphite are investigated theoretically through Quantum Monte Carlo simulations. We adopt a microscopic model that explicitly includes the corrugation of the…
We consider generalized zero-temperature Glauber dynamics under partially synchronous updating mode for a one dimensional system. Using Monte Carlo simulations, we calculate the phase diagram and show that the system exhibits phase…
We calculate the conductivity of a clean graphene sheet at finite temperatures starting from the tight-binding model. We obtain a finite value for the dc-conductivity at zero temperature. For finite temperature, the spontaneous…
We have used quantum Monte Carlo methods to calculate the zero-temperature phase diagram of the two-dimensional homogeneous electron gas. We find a transition from a paramagnetic fluid to an antiferromagnetic triangular Wigner crystal at…
Nitrogen-doped graphene was recently synthesized and was reported to be a catalyst for hydrogen dissociative adsorption under a perpendicular applied electric field (F). In this work, the diffusion of H atoms on N-doped graphene, in the…
We explore quantum-thermodynamic effects in a phosphorous (P)-doped graphene monolayer subjected to biaxial tensile strain. Introducing substitutional P atoms in the graphene lattice generates a tunable spin magnetic moment controlled by…
This article discusses the behavior of submonolayer quantum films (He and H2) on graphene and newly discovered surfaces that are derived from graphene. Among these substrates are graphane (abbreviated GH), which has an H atom bonded to each…
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,…
In this paper the interaction potential between static charges in suspended graphene is studied within the quantum Monte Carlo approach. We calculated the dielectric permittivity of suspended graphene for the set of temperatures and…
We analyze the dissipative conductance of the zero-plateau quantum Hall state appearing in undoped graphene in strong magnetic fields. Charge transport in this state is assumed to be carried by a magnetic domain wall, which forms by…
A single-crystal sheet of graphene is synthesized on the low-symmetry substrate Ir(110) by thermal decomposition of C$_2$H$_4$ at 1500 K. Using scanning tunneling microscopy, low-energy electron diffraction, angle-resolved photoemission…
Using extensive Monte Carlo simulations, we investigate the surface adsorption of self-avoiding trails on the triangular lattice with two- and three-body on-site monomer-monomer interactions. In the parameter space of two-body, three-body,…
We investigate the flat phase of $D$-dimensional crystalline membranes embedded in a $d$-dimensional space and submitted to both metric and curvature quenched disorders using a nonperturbative renormalization group approach. We identify a…
Solid-liquid phase transitions are fundamental physical processes, but atomically-resolved microscopy has yet to capture both the solid and liquid dynamics for such a transition. We have developed a new technique for controlling the melting…