Related papers: Electronic properties of disclinated nanostructure…
Being a true two-dimensional crystal, graphene has special properties. In particular, a point-like defect in graphene may have effects in the long range. This peculiarity questions the validity of using a supercell geometry in an attempt to…
Density functional theory has been applied to investigate the electronic structure and lattice stability of molybdenene monolayer in both its hexagonal and triclinic phases, within ultrasoft pseudopotential approach. In agreement with…
In the presence of a finite interlayer displacement field bilayer graphene has an energy gap that is dependent on stacking and largest for the stable AB and BA stacking arrangements. When the relative orientations between layers are twisted…
We calculate the energy spectrum and eigenstates of a graphene sheet which contains a circular deformation. Using time-independent perturbation theory with the ratio of the height and width of the deformation as the small parameter, we find…
We study the effects of site dilution disorder on the electronic properties in graphene multilayers, in particular the bilayer and the infinite stack. The simplicity of the model allows for an easy implementation of the coherent potential…
Compressed hydrogen passes through a series of layered structures in which the layers can be viewed as distorted graphene sheets. The electronic structures of these layered structures can be understood by studying simple model systems- an…
We analyze different microscopic RNA models at zero temperature. We discuss both the most simple model, that suffers a large degeneracy of the ground state, and models in which the degeneracy has been remove, in a more or less severe…
A computational method is developed whereby the reflectivity of low-energy electrons from a surface can be obtained from a first-principles solution of the electronic structure of the system. The method is applied to multilayer graphene.…
We report on various nanocarbons formed from a unique structural pattern containing two pentagons, three hexagons and two heptagons, resulting from local rearrange- ments around a divacancy in pristine graphene or nanotubes. This defect can…
Density functional calculations of the electronic structure of the complex hydride NaAlH4 and the reference systems NaH and AlH3 are reported. We find a substantially ionic electronic structure for NaAlH4, which emphasizes the importance of…
Disorder effects on the density of states and electronic conduction in metallic carbon nanotubes are analyzed by a tight binding model with Gaussian bond disorder. Metallic armchair and zigzag nanotubes are considered. We obtain a…
A mathematical formulation for particle states and electronic properties of a curved graphene sheet is provided, exploiting a massless Dirac spectrum description for charge carriers living in a curved bidimensional background. In…
The inhomogenous real-space electronic structure of gapless and gapped disordered bilayer graphene is calculated in the presence of quenched charge impurities. For gapped bilayer graphene we find that for current experimental conditions the…
Germanene nanoribbons, with buckled structures, exhibit unique electronic properties. The complicated relations among the quantum confinement, the spin-orbital coupling, the magnetic quantization, the electric-field dominated quantum…
A density-functional approach on the hexagonal graphene lattice is developed using an exact numerical solution to the Hubbard model as the reference system. Both nearest-neighbour and up to third nearest-neighbour hoppings are considered…
We extend density matrix embedding theory to periodic systems, resulting in an electronic band structure method for solid-state materials. The electron correlation can be captured by means of a local impurity model using various choices of…
The effects of a propagating sinusoidal out-of-plane flexural deformation in the electronic properties of a tense membrane of graphene are considered within a non-perturbative approach, leading to an electron-ripple coupling. The…
Experiments on hexagonal graphene-like structures using microwave measuring techniques are presented. The lowest transverse-electric resonance of coupled dielectric disks sandwiched between two metallic plates establishes a tight-binding…
We investigate the electronic structure induced by wedge-disclinations (conical singularities) in a honeycomb lattice model realizing Chern numbers $\gamma=\pm 1$. We establish a correspondence between the bound state of (i) an isolated…
We study the ground state of two-dimensional classical electron solids under the influence of modulation-doped impurities by using a simulated annealing molecular dynamics method. By changing the setback distance as a parameter, we find…