Related papers: Hexagonal Nanopits with the Zigzag Edge State on G…
We report the emergence of electronic edge states in time-periodically driven strained armchair terminated graphene nanoribbons. This is done by considering a short-pulse spatial-periodic strain field. Then, the tight-binding Hamiltonian of…
Gated heterostructures containing bilayer graphene with staggered sublattice potentials are investigated by tight binding model with Rashba spin-orbital coupling and Hubbard interaction. The topological phase diagrams depend on the…
Since the advent of graphene ushered the era of two-dimensional materials, many forms of hydrogenated graphene have been reported, exhibiting diverse properties ranging from a tunable band gap to ferromagnetic ordering. Patterned…
The electronic properties of a triaxially strained hexagonal graphene flake with either armchair or zig-zag edges are investigated using molecular dynamics simulations and tight-binding calculations. We found that: i) the pseudo-magnetic…
The electronic shell structure of triangular, hexagonal and round graphene quantum dots (flakes) near the Fermi level has been studied using a tight-binding method. The results show that close to the Fermi level the shell structure of a…
We provide a systematic quantitative description of spin polarization in armchair and zigzag graphene nanoribbons in a perpendicular magnetic field. We first address spinless electrons within the Hartree approximation studying the evolution…
Homogenous graphitic nanofibres (GNFs) have been synthesised by heat treatment of electrospun polyacrylonitrile in dimethylsulphoxide, offering a new solution route of low toxicity to manufacture sub-60 nm diameter GNFs. Fibre beading…
The formation of technologically valuable nanocarbon structures under extreme conditions, such as those produced during high-explosive detonations, remains poorly understood but holds significant potential for the development of controlled…
We study scanning gate microscopy (SGM) conductance mapping of a $\mathrm{MoS}_2$ zigzag ribbon exploiting tight-binding and continuum models. We show that, even though the edge modes of a pristine nanoribbon are robust to backscattering on…
The grain boundaries (GBs) of a graphene surface were extensively studied because GBs with specific defect configurations result in the formation of new curved structures, which can be treated as new carbon allotropes. We studied the…
The electronic structure of nanographene in pristine and fluorinated activated carbon fibers (ACFs) have been investigated with near-edge x-ray absorption fine structure (NEXAFS) and compared with magnetic properties we reported on…
We report on the possibility for a spin valve effect driven by edge defect engineering of zigzag graphene nanoribbons. Based on a mean-field spin unrestricted Hubbard model, electronic band structures and conductance profiles are derived,…
We investigate higher-order plasmons in graphene nanoribbons, and present how electronic edge states and wavefunction fine structure influence the graphene plasmons. Based on nearest-neighbor tight-binding calculations, we find that a…
Using a tight binding model, we theoretically study the electronic properties of zigzag boron-carbon-nitride (BCN) nanoribbons where the outermost C atoms of zigzag graphene nanoribbons are replaced with B and N atoms. We show that the flat…
In moir\'e graphene systems, electronic interactions lift spin and valley degeneracies, leading to symmetry-broken ground states. In helical trilayer graphene (HTG), we uncover a distinct interaction-driven mechanism in which the roles of…
Iron hydride with a double hexagonal close-packed structure (dhcp-FeH$_{x}$) undergoes a ferromagnetic-paramagnetic transition without changing its crystal structure. Despite its relevance to metal-hydrogen interactions and magnetically…
Recent experiments indicate room-temperature ferromagnetism in graphite like materials. This paper offers an multiple spin state analysis to find out the origine of ferromagnetism in case of nano meter size graphene molecule.First principle…
We study the interplay between the edge states and a single impurity in a zigzag graphene nanoribbon. We use tight-binding exact diagonalization techniques, as well as density functional theory calculations to obtain the eigenvalue…
We investigate the electronic band structure of an undoped graphene armchair nanoribbon. We demonstrate that such nanoribbon always has a gap in its electronic spectrum. Indeed, even in the situations where simple single-electron…
The effect of strain in graphene is usually modeled by a pseudo-magnetic vector potential which is, however, derived in the limit of small strain. In realistic cases deviations are expected in view of graphene's very high strain tolerance,…