Related papers: Two-dimensional C/BN core/shell structures
This work presents a systematic review of the feature-rich essential properties in graphene-related systems using the first-principles method. The geometric and electronic properties are greatly diversified by the number of layers, the…
The wave nature of electrons in low-dimensional structures manifests itself in conventional electrical measurements as a quantum correction to the classical conductance. This correction comes from the interference of scattered electrons…
Spin-polarized first-principles calculations have been performed to tune the electronic and optical properties of graphene (G) and boron-nitride (BN) quantum dots (QDs) through molecular charge-transfer using Tetracyanoquinodimethane (TCNQ)…
Optical properties of multilayer semi-conductor nano-emitters are crucially dependent on the relative energy levelsof their different components. For core/shell quantum dots, the relative energy difference between conduction bandedge of…
X-ray photoelectron spectroscopy (XPS) combined with first principles modeling is a powerful tool for determining the chemical composition and electronic structure of novel materials. Of these, graphene is an especially important model…
Density functional theory (DFT) and thermal DFT (thDFT) calculations were used to evaluate the energy band structure, bandgap, and the total energy of various graphene quantum dots (GQDs). The DFT calculations were performed using local…
Defect color centers in hexagonal boron nitride (hBN) have gained significant interest as single-photon emitters and spin qubits for applications in a wide range of quantum technologies. As the integration of these solid-state quantum…
We theoretically investigate the electronic structures of moir\'{e} superlattices arising in monolayer / bilayer graphene stacked on hexagonal boron nitride (hBN) in presence and absence of magnetic field. We develop an effective continuum…
Here, we report an alternative route to achieve two dimensional electron gas (2DEG) in a semiconductor structure. It has been shown that charge accumulation on the side facets can lead to the formation of 2DEG in a network of c-axis…
Bilayer graphene samples may exhibit regions where the two layers are locally delaminated forming a so-called quantum blister in the graphene sheet. Electron and hole states can be confined in this graphene quantum blisters (GQB) by…
Graphene monolayer is a material with zero band gap, because of which its applications in optoelectronics are limited. The question arises, can we modify the optoelectronic properties of graphene by doping it with other atoms? Synthesis of…
Experimental realizations of Abelian fractional Chern insulators (FCIs) have demonstrated the potentials of moir\'e systems in synthesizing exotic quantum phases. Remarkably, twisted multilayer graphene system may also host non-Abelian…
Using density-functional theory, we calculate the electronic bandstructure of single-layer graphene on top of hexagonal In_2Te_2 monolayers. The geometric configuration with In and Te atoms at centers of carbon hexagons leads to a Kekule'…
We present a theoretical description of the electronic properties of graphene in the presence of disorder, electron-electron interactions, and particle-hole symmetry breaking. We show that while particle-hole asymmetry, long-range Coulomb…
We investigate the spin of the ground state of a geometrically confined many-electron system. For atoms, shell structure simplifies this problem-- the spin is prescribed by the well-known Hund's rule. In contrast, quantum dots provide a…
The electronic states occurring in a double vacancy defect for graphene nanoribbons have been calculated in detail based on a pyrene model. Extended ab initio calculations using the MR configuration interaction (MRCI) method have been…
We study the role of particle geometry in the ordering of bilayers of bent-core particles using a simplified two-dimensional model. Particles are confined to two parallel one-dimensional layers and can adopt only two discrete orientations…
We present a theoretical formulation of the one-electron problem constrained on the surface of a cylindrical tubule with varying diameter. Because of the cylindrical symmetry, we may reduce the problem to a one-dimensional equation for each…
Low-lying energy levels of two interacting electrons confined in a two-dimensional parabolic quantum dot in the presence of an external magnetic field have been revised within the frame of a novel model. The present formalism, which gives…
The 2D system of electron confined to the lowest Landau level is described using a representation of the density matrix depending both on electron and hole coordinates. Condensation of the electron system into a fractional quantum Hall…