Related papers: Zero-temperature phase diagram of D$_2$ physisorbe…
We report on graphene-based Josephson junctions with contacts made from lead. The high transition temperature of this superconductor allows us to observe the supercurrent branch at temperatures up to $\sim 2$ K, at which point we can detect…
We report the results of molecular dynamics (MD) simulations of a complete monolayer of hexane physisorbed onto the basal plane of graphite. At low temperatures the system forms a herringbone solid. With increasing temperature, a solid to…
We have investigated ozone adsorption on graphene using the ab initio density functional theory method. Ozone molecules adsorb on graphene basal plane with binding energy of 0.25 eV, and the physisorbed molecule can chemically react with…
Conductivity of the defectless, perfect crystal graphene is found at the neutrality point at zero temperature and in the limit of large dielectric constant of the substrate. The steady state of the graphene with weak current is assumed to…
Adsorption of gaseous species, and in particular of hydrogen atoms, on graphene is an important process for the chemistry of this material. At the equilibrium geometry, the H atom is covalently bonded to a carbon that puckers out from the…
The excitations in graphene and some other materials are described by two-dimensional massless Dirac equation with applied external potential of some kind. Solutions of this zero energy equation are built analytically for a wide class of…
The complete theory of electrical conductivity of graphene at arbitrary temperature is developed with taken into account mass-gap parameter and chemical potential. Both the in-plane and out-of-plane conductivities of graphene are expressed…
The Casimir-Polder interaction of ground-state and excited atoms with graphene is investigated with the aim to establish whether graphene systems can be used as a shield for vacuum fluctuations of an underlying substrate. We calculate the…
We present evidence, from Lattice Monte Carlo simulations of the phase diagram of graphene as a function of the Coulomb coupling between quasiparticles, that graphene in vacuum is likely to be an insulator. We find a semimetal-insulator…
We calculate the electronic structure and magnetic properties of hydrogenated graphite surfaces using van der Waals density functional theory (DFT) and model Hamiltonians. We find, as previously reported, that the interaction between…
Rhombohedral stacked multilayer graphene is an ideal platform to search for correlated electron phenomena, due to its pair of flat bands touching at zero energy and further tunability by an electric field. Furthermore, its valley-dependent…
We study the low-pressure (0 to 10 GPa) phase diagram of crystalline benzene using quantum Monte Carlo (QMC) and density functional theory (DFT) methods. We consider the $Pbca$, $P4_32_12$, and $P2_1/c$ structures as the best candidates for…
Due to its high charge carrier mobility, broadband light absorption, and ultrafast carrier dynamics, graphene is a promising material for the development of high-performance photodetectors. Graphene-based photodetectors have been…
The Joule heating effect on graphene electronic properties is investigated by using full-band Monte Carlo electron dynamics and three-dimensional heat transfer simulations self-consistently. A number of technologically important substrate…
We study the ground state phase diagram of ultracold dipolar gases in highly anisotropic traps. Starting from a one-dimensional geometry, by ramping down the transverse confinement along one direction, the gas reaches various planar…
In this work density functional theory (DFT) and diffusion Monte Carlo (DMC) methods are used to calculate the binding energy of a H atom chemisorbed on the graphene surface. The Perdew-Burke-Ernzerhof (PBE) value of the binding energy is…
The structure of a physisorbed sub-monolayer of 1,2-bis(4-pyridyl)ethylene (bpe) on epitaxial graphene is investigated by Low-Energy Electron Diffraction and Scanning Tunneling Microscopy. Additionally, non-equilibrium heat-transfer between…
We use an accurate implementation of density functional theory (DFT) to calculate the zero-temperature generalized phase diagram of the 4$d$ series of transition metals from Y to Pd as a function of pressure $P$ and atomic number $Z$. The…
The Heisenberg antiferromagnet on a two-dimensional triangular lattice is a paradigmatic problem in frustrated magnetism. Even in the classical limit, its properties are far from simple. The "120 degree" ground state favoured by the…
The zero temperature phase diagram of the checkerboard Hubbard model is obtained in the solvable limit in which it consists of weakly coupled square plaquettes. As a function of the on-site Coulomb repulsion U and the density of holes per…