Related papers: Robustness of type-II Dirac cones in biphenylene-b…
Optical Hall conductivity, as directly related to Faraday rotation, is theoretically studied for bilayer and trilayer graphene. In bilayer graphene, the trigonal warping of the band dispersion greatly affects the resonance structures in…
A quantum graph model for a single sheet of graphene is extended to bilayer and trilayer Bernal-stacked graphene; the spectra are characterized and the dispersion relations explicitly obtained; Dirac cones are then proven to be present only…
We study the electronic properties of a twisted trilayer graphene, where two of the layers have Bernal stacking and the third one has a relative rotation with respect to the AB-stacked layers. Near the Dirac point, the AB-twisted trilayer…
We study a 2D continuum model of electronic transport in twisted bilayer graphene (TBG) at commensurate angles. We use two honeycomb potentials with the symmetries of graphene, either sharing a common origin (AA stacking) or shifted by a…
Using a first-principles total energy methodology, we investigated the properties of graphene-like carbon mono and bilayers, functionalized with nitrogen and boron atoms. The resulting stable structures were explored in terms of their…
Armchair biphenylene nanoribbons are investigated by using density functional theory. The nanoribbon that contains one biphenylene subunit in a unit cell is a semiconductor with a direct band gap larger than 1 eV, while that containing four…
This work presents the electronic and transport properties of bilayer borophene nanoribbons. In the first part, a four-orbital tight-binding model is derived by fitting the \emph{ab initio} band structure. The transport properties of…
The generalized tight-binding model has been developed to thoroughly explore the essential electronic and optical properties of AB-bt bilayer silicene. They are greatly diversified by the buckled structure, stacking configuration,…
We study a family of globally smooth spatially varying two dimensional stacking textures in bilayer graphene. We find that the strain-minimizing stacking patterns connecting inequivalent ground states with local $AB$ and $BA$ interlayer…
Silicene, analogous to graphene, is a one-atom-thick two-dimensional crystal of silicon which is expected to share many of the remarkable properties of graphene. The buckled honeycomb structure of silicene, along with its enhanced…
Using first-principles calculations, we examine the electronic structure of quasi-one-dimensional fullerene nanoribbons derived from two-dimensional fullerene networks. Depending on the edge geometry and width, these nanoribbons exhibit a…
Controlling the bandstructure of Dirac materials is of wide interest in current research but has remained an outstanding challenge for systems such as monolayer graphene. In contrast, Bernal bilayer graphene (BLG) offers a highly flexible…
The exciting discovery of bi-dimensional systems in condensed matter physics has triggered the search of their photonic analogues. In this letter, we describe a general scheme to reproduce some of the systems ruled by a tight-binding…
Graphene is a promising material for the development of applications in nanoelectronic devices, but the lack of a band gap necessitates the search for ways to tune its electronic properties. In addition to doping, defects, and nanoribbons,…
Small-twist-angle bilayer graphene supports strongly correlated insulating states and superconductivity. Twisted few-layer graphene systems are likely to open up new directions for strong correlation physics in moir\'e superlattices. We…
Graphene nanoribbons are semiconductor nanostructures with great potentials in nanoelectronics. Their realization particularly with small lateral dimensions below a few nanometers, however, remains challenging. Here we theoretically analyze…
First-principles calculations have been used to investigate the electronic and topological properties of the two-dimensional C6-2x(BN)x biphenylene network, a graphene-like structure composed of not only hexagonal ring but also octagonal…
We investigate the structure and electronic spectra properties of two-dimensional amorphous bismuthene structures and show that these systems are topological insulators. We employ realistic modeling of amorphous geometries together with…
We derive an {\em ab initio} $\pi$-band tight-binding model for $AB$ stacked bilayer graphene based on maximally localized Wannier wave functions (MLWFs) centered on the carbon sites, finding that both intralayer and interlayer hopping is…
We carry out a computational study on the geometric and electronic properties of multi-layers of silicene in different stacking configurations using a state-of-art abinitio density functional theory based calculations. In this work we…