Related papers: Interlayer correlation between two $^4$He monolaye…
We theoretically study the stability of the solidified second-layer 3He at 4/7 of the first-layer density adsorbed on graphite, which exhibits quantum spin liquid. We construct a lattice model for the second-layer 3He by taking account of…
Close to charge neutrality, the low-energy properties of high-quality suspended devices based on atomically thin graphene layers are determined by electron-electron interactions. Bernal-stacked layers, in particular, have shown a remarkable…
The fluorination of mono- and bi-layer graphene have been studied by means of ab-initio DFT calculations. The stability of CF$_x$ systems are found to depend on both the F coverage and on the position of the F atoms regarding the C…
The adsorption of $^4$He inside and outside a single fullerene C$_{60}$ is studied. A physisorption potential is proposed. The energetics and structural features of C$_{60}$-$^4$He$_N$ clusters are investigated. Particular attention is paid…
Microgels are soft colloidal particles constituted by cross-linked polymer networks with a high potential for applications. In particular, after adsorption at a fluid interface, interfacial tension provides two-dimensional (2D) confinement…
Mixing of atoms at the interface was studied for Mn/Fe magnetic hetero-epitaxial layers on Cu(001) by scanning tunneling microscopy/spectroscopy. The formation of a surface alloy was observed when the Mn layer was thinner than 3 atomic…
Spin-orbit coupling (SOC) in graphene can be greatly enhanced by proximity coupling it to transition metal dichalcogenides (TMDs) such as WSe2. We find that the strength of the acquired SOC in graphene depends on the stacking order of the…
Although both vacancies and interstitial have relatively high activation energies in the normal solid, we propose that a lower energy bound state of a vacancy and an interstitial may facilitate vacancy condensation to give supersolidity in…
We use first-principles calculations based on density functional theory to study how the magnetic properties of an Fe monolayer on a W(001) surface -- exhibiting a $c(2 \times 2)$ antiferromagnetic ground state -- can be modified by an…
Potential Energy Surface for the ($\mathrm{\bar{p}} - \mathrm{He}^{2+} - \mathrm{He}$) system is calculated in the framework of the restricted (singlet spin state) Hartree-Fock method with subsequent account of the electronic correlations…
The complete lattice-layer entanglement structure of Bernal stacked bilayer graphene is obtained for the quantum system described by a tight-binding Hamiltonian which includes mass and bias voltage terms. Through a suitable correspondence…
The intrinsic channel properties of monolayer and multilayer graphene were systematically investigated as a function of layer number by the exclusion of contact resistance using four-probe measurements. We show that the continuous change in…
In this paper, we predict the existence of low-frequency nonlocal plasmon excitations at the vacuum-surface interface of a superlattice of $N$ graphene layers interacting with a thick conducting substrate. This is different from graphite…
Stacking-dependent interlayer interactions are important for understanding the structural and electronic properties in incommensurable two dimensional material assemblies where long-range moir\'e patterns arise due to small lattice constant…
Manipulating the interlayer magnetic coupling in van der Waals magnetic materials and heterostructures is the key to tailoring their magnetic and electronic properties for various electronic applications and fundamental studies in condensed…
Multi-layer graphene on the carbon face of silicon carbide is an intriguing electronic system which typically consists of a stack of ten or more layers. Rotational stacking faults in this system dramatically reduce inter-layer coherence. In…
Few-layer graphene systems come in various stacking orders. Considering tight-binding models for electrons on stacked honeycomb layers, this gives rise to a variety of low-energy band structures near the charge neutrality point. Depending…
The correlation between neutral Hydrogen (HI) in the intergalactic medium (IGM) and galaxies now attracts great interests. We select four fields which include several coherently strong Ly$\alpha$ absorption systems at $z\sim2.2$ detected by…
Two dimensional van der Waals heterostructures (2D are of significant interest due to their intriguing physical properties that are critically defined by the constituent monolayers and their interlayer coupling . However, typical inorganic…
MXene-based heterostructures have received considerable interest owing to their unique properties. Herein, we examine various heterostructures of a prototypical MXene and graphene using density functional theory. We find that the adhesion…