Related papers: He-4 monolayer on Graphene: a Quantum Monte Carlo …
We demonstrate a method for synthesizing large scale single layer graphene by thermal annealing of ruthenium single crystal containing carbon. Low energy electron diffraction indicates the graphene grows to as large as millimeter dimensions…
We report on Hybrid-Monte-Carlo simulations at finite spin density of the $\pi$-band electrons in monolayer graphene with realistic inter-electron interactions. Unlike simulations at finite charge-carrier density, these are not affected by…
We investigate interlayer adhesion and relaxation at interfaces between graphene and hexagonal boron nitride (hBN) monolayers in van der Waals heterostructures. The adhesion potential between graphene and hBN is calculated as a function of…
A great efficacy of molecular quantum chemistry applied to basic graphene problems has been recently demonstrated by the authors when studying the formation of peculiar composites between carbon nanotubes and graphene as well as considering…
Using Monte Carlo simulation method in the canonical ensemble, we have studied the commensurate-incommensurate transition in two-dimensional finite mixed clusters of Ar and Kr adsorbed on graphite basal plane at low temperatures. It has…
The recent experimental observation of step-like structure in the superfluid density of $^{4}$He films on graphite is interpreted in terms of passage close to Mott insulating lobes in the Bose--Hubbard model. Plateaus develop in the…
Thermal ripples of graphene are well understood at room temperature, but their quantum counterparts at low temperatures are still in need of a realistic quantitative description. Here we present atomistic path-integral Monte Carlo…
In search of substrates for adsorption of He atoms allowing for novel quantum phases in restricted geometry we study the case of borophane. We focus on two allotropes of borophane, alpha-4H and Rect-2H. With a suitable Density Functional…
The crystal structure of high-pressure solid hydrogen remains a fundamental open problem. Although the research frontier has mostly shifted toward ultra-high pressure phases above 400 GPa, we show that even the broken symmetry phase…
Uniform, mostly single-layer graphene with enhanced stability is demonstrated over Co film. The polycrystalline Co film deposited on a SiO2/Si substrate gives a continuous graphene layer that is easily transferred without the aid of any…
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 stability of hydrogenated monolayer graphene was investigated via X-ray photoemission spectroscopy (XPS) for two different environmental conditions: ultra-high vacuum (UHV) and ambient pressure. The study is carried out by measuring the…
Graphyne-4 sheet exhibits promising potential for nanoscale desalination to achieve both high water permeability and salt rejection rate. Extensive molecular dynamics simulations on pore-size effects suggest that graphyne-4, with 4…
Hydrogen bond patterns, proton ordering, and phase transitions of monolayer ice in two-dimensional hydrophobic confinement are fundamentally different from those found for bulk ice. To investigate the behavior of quasi-2D ice, we perform…
Producing large-area single-crystalline graphene is key to realizing its full potential in advanced applications, including twistronics. Yet, controlling graphene growth kinetics to avoid grain boundaries or multilayer growth remains…
Graphene and its multilayers have attracted considerable interest owing to the fourfold spin and valley degeneracy of their charge carriers, which enables the formation of a rich variety of broken-symmetry states and raises the prospect of…
We use the Maximum Entropy Method (MaxEnt) to estimate the dynamic structure factor of superfluid He-4 at T=1 K, by inverting imaginary-time density correlation functions computed by a Quantum Monte Carlo (QMC) simulation. Our procedure…
Quantum crystals abound in the whole range of solid-state species. Below a certain threshold temperature the physical behavior of rare gases (4He and Ne), molecular solids (H2 and CH4), and some ionic (LiH), covalent (graphite), and…
We have used quantum evaporation to investigate the two-dimensional fermion system that forms at the free surface of (initially isotopically pure) 4He when small quantities of 3He are added to it. By measuring the first-arrival times of the…
A 2+1 dimensional fermion field theory is proposed as a model for the low-energy electronic excitations in monolayer graphene. The model consists of N=2 four-component Dirac fermions moving in the plane and interacting via a contact…