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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 registered $sqrt3 times sqrt3$ phase. The perfect solid phase of H$_2$ shows no superfluid signal whereas $^4$He has a finite but small superfluid fraction (0.67%). The introduction of vacancies in the crystal makes the superfluidity increase, showing values as large as 14% in $^4$He without destroying the spatial solid order.
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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 the incommensurate solid phases. For the second layer, we find only superfluid and incommensurate solid phases. The commensurate phase found in previous simulation work is only observed if first layer particles are kept fixed; it disappears upon explicitly including their zero-point fluctuations. No evidence of any supersolid phase is found.
We study a gas of dipolar Bosons confined in a two-dimensional optical lattice. Dipoles are considered to point freely in both up and down directions perpendicular to the lattice plane. This results in a nearest neighbor repulsive (attractive) interaction for aligned (anti-aligned) dipoles. We find regions of parameters where the ground state of the system exhibits insulating phases with ferromagnetic or anti-ferromagnetic ordering, as well as with rational values of the average magnetization. Evidence for the existence of a novel counterflow supersolid quantum phase is also presented.
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 the simulation. We found that the ground state is a liquid of density 0.007 $pm$ 0.001 AA$^{-2}$, in good agreement with available experimental data. This is significantly different from the case of $^3$He on clean graphite, in which both theory and experiment agree on the existence of a gas-liquid transition at low densities. Upon an increase in $^3$He density, we predict a first-order phase transition between a dense liquid and a registered 7/12 phase, the 4/7 phase being found metastable in our calculations. At larger second-layer densities, a final transition is produced to an incommensurate triangular phase.
The quantum Hall effect (QHE) originates from discrete Landau levels forming in a two-dimensional (2D) electron system in a magnetic field. In three dimensions (3D), the QHE is forbidden because the third dimension spreads Landau levels into multiple overlapping bands, destroying the quantisation. Here we report the QHE in graphite crystals that are up to hundreds of atomic layers thick - thickness at which graphite was believed to behave as a 3D bulk semimetal. We attribute the observation to a dimensional reduction of electron dynamics in high magnetic fields, such that the electron spectrum remains continuous only in the direction of the magnetic field, and only the last two quasi-one-dimensional (1D) Landau bands cross the Fermi level. In sufficiently thin graphite films, the formation of standing waves breaks these 1D bands into a discrete spectrum, giving rise to a multitude of quantum Hall plateaux. Despite a large number of layers, we observe a profound difference between films with even and odd numbers of graphene layers. For odd numbers, the absence of inversion symmetry causes valley polarisation of the standing-wave states within 1D Landau bands. This reduces QHE gaps, as compared to films of similar thicknesses but with even layer numbers because the latter retain the inversion symmetry characteristic of bilayer graphene. High-quality graphite films present a novel QHE system with a parity-controlled valley polarisation and intricate interplay between orbital, spin and valley states, and clear signatures of electron-electron interactions including the fractional QHE below 0.5 K.
Recent scanning tunneling spectroscopy (STM) experiments display images with star and ellipsoidal like features resulting from unique geometrical arrangements of a few adsorbed hydrogen atoms on graphite. Based on first-principles STM simulations, we propose a new model with three hydrogen atoms adsorbed on the graphene sheet in the shape of an equilateral triangle with a hexagon ring surrounded inside. The model reproduces the experimentally observed starlike STM patterns. Additionally, we confirm that an ortho-hydrogen pair is the configuration corresponding to the ellipsoidal images. These calculations reveal that when the hydrogen pairs are in the same orientation, they are energetically more stable.
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