Related papers: 3He on preplated graphite
The superfluid response of nanoscale size quasi-2D He-4 droplets adsorbed on a graphite substrate is investigated by computer simulations. It is found that clusters comprising as few as 7 atoms are stable at temperatures lower than < 0.15…
We obtain the phase diagram of the hard core lattice gas with third nearest neighbor exclusion on the triangular lattice using Monte Carlo simulations that are based on a rejection-free flat histogram algorithm. In a recent paper [J. Chem.…
We present Monte Carlo simulations of a three-state lattice gas, half-filled with two types of particles which attract one another, irrespective of their identities. A bias drives the two particle species in opposite directions,…
Adsorption of ortho-deuterium and para-hydrogen films on a graphite substrate, pre-plated with a single atomic layer of krypton, is studied theoretically by means of quantum Monte Carlo simulations at low temperature. Our model explicitly…
We study the phase diagram of a system of $2\times 2\times 1$ hard plates on the three dimensional cubic lattice, {\em i.e.} a lattice gas of plates that each cover an elementary plaquette of the cubic lattice and occupy its four vertices,…
We use the diffusion quantum Monte Carlo to revisit the enthalpy-pressure phase diagram of the various products from the different proposed decompositions of H$_2$S at pressures above 150~GPa. Our results entails a revision of the…
The insulator-to-metal transition in solid helium at high pressure is studied with first-principles simulations. Diffusion quantum Monte Carlo (DMC) calculations predict that the band gap closes at a density of 21.3 g/cc and a pressure of…
We present a zero-temperature quantum Monte Carlo calculation of liquid $^4$He immersed in an array of confining potentials. These external potentials are centered in the lattice sites of a fcc solid geometry and, by modifying their well…
Sodium atoms and clusters (N<5) on graphite (0001) are studied using density functional theory, pseudopotentials and periodic boundary conditions. A single Na atom is observed to bind at a hollow site 2.45 A above the surface with an…
Various electronic phases emerge when applying high magnetic fields in graphite. However, the origin of a semimetal-insulator transition at $B \simeq 30\; \textrm{T}$ is still not clear, while an exotic density-wave state is theoretically…
We have demonstrated a method to disperse and exfoliate graphite to give graphene suspended in water-surfactant solutions. Optical characterisation of these suspensions allowed the partial optimisation of the dispersion process.…
We study theoretically and experimentally the emergence of supersolid properties in a dipolar Bose-Einstein condensate. The theory reveals a ground state phase diagram with three distinct regimes - a regular Bose-Einstein condensate,…
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…
Studying the series expansion of the thermodynamic potential for the hard-core N3 lattice-gas model, we provide evidence for a first-order phase-transition with a finite jump in density and entropy, in agreement with numerical transfer…
We have investigated the ground state properties of solid $^4$He with the Shadow Path Integral Ground State method. This exact T=0 K projector method allows to describes quantum solids without introducing any a priori equilibrium position.…
Detailed numerical results obtained with state-of-the-art Quantum Monte Carlo (QMC) simulations are presented for the superfluid phase of $^4$He at saturated vapor pressure. The aim of this contribution is that of providing reliable,…
We report diffusion Monte Carlo calculations on the phase diagrams of para-H2 and ortho-D2 adsorbed on top of a first layer of the same substances on graphene. We found that the ground state of the second layer is a triangular…
The global phase behavior of the lattice restricted primitive model with nearest neighbor exclusion has been studied by grand canonical Monte Carlo simulations. The phase diagram is dominated by a fluid (or charge-disordered solid) to…
We develop a mean-field description including spatial structure for a simplified version of the three-state active matter model studied by Venzel et al. (Phys. Rev. E 110, 014109 (2024)). The resulting triangular lattice of coupled…
Superfluid $^3$He under nanoscale confinement has generated significant interest due to the rich spectrum of phases with complex order parameters that may be stabilized. Experiments have uncovered a variety of interesting phenomena, but a…