Related papers: Interlayer correlation between two $^4$He monolaye…
Recent theory has demonstrated that the value of the electron-phonon coupling strength $\lambda$ can be extracted directly from the thermal attenuation (Debye-Waller factor) of Helium atom scattering reflectivity. This theory is here…
We present the results of molecular dynamics (MD) studies of hexane physisorbed onto graphite for eight coverages in the range $0.875 \le \rho \le 1.05$ (in units of monolayers). At low temperatures the adsorbate molecules form a uniaxially…
The specific heat of a two-layer He-4 film adsorbed on a graphite substrate is estimated as a function of temperature by Quantum Monte Carlo simulations. The results are consistent with recent experimental observations, in that they broadly…
The atomic-level vdW heterostructures have been one of the most interesting quantum material systems, due to their exotic physical properties. The interlayer coupling in these systems plays a critical role to realize novel physical…
Previous experimental observations for H intercalation under graphene on SiC surfaces motivate clarification of configuration stabilities and kinetic processes related to intercalation. From first-principles density-functional-theory (DFT)…
We consider a model of two (fully) compact polymer chains, coupled through an attractive interaction. These compact chains are represented by Hamiltonian paths (HP), and the coupling favors the existence of common bonds between the chains.…
The geometric and electronic properties of Bi-adsorbed monolayer graphene, enriched by the strong effect of substrate, are investigated by first-principles calculations. The six-layered substrate, corrugated buffer layer, and slightly…
The experimental realization of a thin layer of spin-polarized hydrogen adsorbed on top of the surface of superfluid 4He provides one of the best examples of a stable nearly two-dimensional quantum Bose gas. We report a theoretical study of…
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…
We calculate properties of a model of $^4$He in Vycor using the Path Integral Monte Carlo method. We find that $^4$He forms a distinct layered structure with a highly localized first layer, a disordered second layer with some atoms…
We study by Quantum Monte Carlo simulations the phase diagram of lattice hard core bosons with nearest-neighbour repulsive interactions, in the presence of a super-lattice of adsorption sites. For a moderate adsorption strength, the system…
We present a model study to estimate the sensitivity of the optical absorption of multilayered graphene structure to the subnanometer interlayer separation. Starting from a transfer-matrix formalism we derive semi-analytical expressions for…
Understanding interfacial interactions in two-dimensional (2D) heterostructures is essential for advancing optoelectronic and quantum technologies. We investigate metal-organic chemical vapor deposition (MOCVD)-grown WSe$_2$ films (one to…
We study the effect of sublattice symmetry breaking on the electronic, magnetic and transport properties of two dimensional graphene as well as zigzag terminated one and zero dimensional graphene nanostructures. The systems are described…
We previously reported the discovery of a two dimensional $^{4}$He supersolid; a state with intertwined density wave and superfluid order, observed in the second layer of $^{4}$He adsorbed on graphite. In this Letter we provide direct…
Layered heterostructure materials with two different functional building blocks can teach us about emergent physical properties and phenomena arising from interactions between the layers. We report the intergrowth compounds…
We model optical absorption of monolayer and bilayer graphene on hexagonal boron nitride for the case of closely-aligned crystal lattices. We show that perturbations with different spatial symmetry can lead to similar absorption spectra. We…
We explore the electronic ground states of Bernal-stacked multilayer graphenes using the Hartree-Fock mean-field approximation and the full-parameter band model. We find that the electron-electron interaction tends to open a band gap in…
The folding vs. adsorption behaviour of a coarse-grained off-lattice protein model near an attractive surface is presented within the frame of a Multicanonical Monte Carlo simulations. In the polymer-surface model, the Lennard-Jones…
Motivated by the recent experimental developments in van der Waals heterostructures, we investigate the emergent magnetism in Mott insulator - semimetal moir\'e superlattices by deriving effective spin models and exploring their phase…