Related papers: Closed clusters approach to graphene
Graph clustering, a classical task in graph learning, involves partitioning the nodes of a graph into distinct clusters. This task has applications in various real-world scenarios, such as anomaly detection, social network analysis, and…
We perform a comprehensive analysis of the spectrum of graphene plasmons which arise when a pair of sheets are confined between conducting materials. The associated enhanced local fields may be employed in the manipulation of light on the…
A central question in the field of graphene-related research is how graphene behaves when it is patterned at the nanometer scale with different edge geometries. Perhaps the most fundamental shape relevant to this question is the graphene…
We consider twisted bilayer graphene on a transition metal dichalcogenide substrate, where proximity-induced spin-orbit coupling significantly alters the eight flat bands which occur near the magic angle. The resulting band structure…
The Y-chart is a powerful tool for understanding the relationship between various views (behavioral, structural, physical) of a system, at different levels of abstraction, from high-level, architecture and circuits, to low-level, devices…
Modern electronic structure theories can predict and simulate a wealth of phenomena in surface science and solid-state physics. In order to allow for a direct comparison with experiment, such ab initio predictions have to be made in the…
Considerable efforts have been made to trap massless Dirac fermions in graphene monolayer, but only quasi-bound states are realized in continuous graphene sheets up to now. Here, we demonstrate the realization of bound states in nanoscale…
Coupled cluster Green's function (CCGF) approach has drawn much attention in recent years for targeting the molecular and material electronic structure problems from a many-body perspective in a systematically improvable way. Here, we will…
Multilayer graph has garnered plenty of research attention in many areas due to their high utility in modeling interdependent systems. However, clustering of multilayer graph, which aims at dividing the graph nodes into categories or…
We present density functional theory calculations of the binding energies of one, two and three fluorine adatoms on the same side of monolayer graphene. We show that fluorine dimers on graphene in a spin-singlet state are stable against…
We find the exact solution of graphene s carriers under electromagnetic radiation. To obtain such solution, we combine Floquet theory with a trial solution. Then the energy spectrum is obtained without using any approximation. Using such…
Moir\'e systems featuring flat electronic bands exhibit a vast landscape of emergent exotic quantum states, making them one of the resourceful platforms in condensed matter physics in recent times. Tuning these systems via twist angle and…
Graphene, a two-dimensional material with tunable electronic properties, holds significant importance in condensed matter physics and material science. In this study, we analyze the curvature of graphene's ground-state energy dispersion…
We use density functional theory to determine the equilibrium shape of graphene flakes, through the calculation of the edge orientation dependence of the edge energy and edge stress of graphene nanoribbons. The edge energy is a nearly…
Graphene clusters consisting of 24 to 150 carbon atoms and hydrogen termination at the zigzag boundary edges have been studied, as well as clusters disordered by vacancy(s). Density Function Theory and Gaussian03 software were used to…
In this review, we provide an in-depth description of the physics of monolayer and bilayer graphene from a theorist's perspective. We discuss the physical properties of graphene in an external magnetic field, reflecting the chiral nature of…
Superconductivity with transition temperature $T_c=1.7$ K has been reported in bilayer graphene [1,2]. The main factors, which may shed light on the mechanism of the formation of this superconductivity, are the following. Superconductivity…
We develop a suitable technique to design zero-energy graphene models with radial electrostatic potentials capable of achieving electrostatic confinement. Using the Gaussian law for electrostatics, we derive the charge density associated…
The electronic and transport properties of hybrid armchair zigzag nanostructures including U-shaped graphene nanoribbons and patterned nanopores structured graphene were studied using combination of density functional theory and…
The pair-coupled-cluster doubles (pCCD) method has emerged as a viable approach for quantum-chemical studies of strongly correlated systems. Despite its lower formal scaling (O(N$^4$)) compared to other versions of coupled cluster (CC)…