Related papers: Stacking defects in GaP nanowires: Electronic stru…
Strain has been extensively employed to tailor graphene's properties and has emerged as a powerful tool for engineering gauge fields and exploring fundamental phenomena in artificial platforms like photonic graphene. Here we discover that,…
We study numerically the effects of edge and bulk disorder on the conductance of graphene nanoribbons. We compute the conductance suppression due to localization induced by edge scattering. We find that even for weak edge roughness,…
Double layer graphene is a gapless semiconductor which develops a finite gap when the layers are placed at different electrostatic potentials. We study, within the tight-biding approximation, the electronic properties of the gaped graphene…
Surface Tamm states arise in one-dimensional lattices from some defects at the lattice edge and their energy generally falls in a gap of the crystal. The defects at the surface change rather generally the phase of propagative Bloch waves…
Zinc phosphide, Zn3P2, nanowires constitute prospective building blocks for next generation solar cells due to the combination of suitable optoelectronic properties and an abundance of the constituting elements in the Earths crust. The…
We have performed total-energy density-functional calculations using first-principles pseudopotentials to determine the atomic and electronic structure of neutral surface and subsurface vacancies at the GaP(110) surface. The cation as well…
The phenomenon of photonic band gaps in one-dimensional optical lattices is reviewed using a microscopic approach. Formally equivalent to the transfer matrix approach in the thermodynamic limit, a microscopic model is required to study…
The reflectivity of various Bragg reflectors in connection to waveguide structures, including nanowires, has been investigated using modal reflection and transmission matrices. A semi-analytical model was applied yielding increased…
First-principles full-potential linearized augmented plane wave (FLAPW) calculations are performed to clarify the role of the interface geometry on piezoelectric fields and on potential line-ups at the [0001]-wurtzite and [111]-zincblende…
Coexistence of superconducting and normal components in nanowires at currents below the critical (a "mixed" state) would have important consequences for the nature and range of potential applications of these systems. For clean samples, it…
The effects of edge irregularity and mixed edge shapes on the characteristics of graphene nanoribbon transistors are examined by self-consistent atomistic simulations based on the non-equilibrium Green's function formalism. The minimal…
The effect of grain boundaries and wrinkles on the electrical properties of polycrystalline graphene is pronounced. Here we investigate the stitching between grains of polycrystalline graphene, specifically, overlapping of layers at the…
Twin boundaries (TBs) are assumed to be obstacles to dislocation motion and increase the strength of metals. Here, we report the abnormal phenomenon that TBs reduce the strength of body-centered cubic (BCC) tungsten (W). [1-11]-oriented W…
We study structural and chemical transformations induced by focused laser beam in GaAs nanowires with axial zinc-blende/wurtzite (ZB/WZ) heterostucture. The experiments are performed using a combination of transmission electron microscopy,…
By using two ab initio numerical methods we study the effects that disorder has on the spectral gaps and on wave localization in two-dimensional photonic band gap materials. We find that there are basically two different responses depending…
Investigation of charged defects is necessary to understand the properties of semiconductors. While density functional theory calculations can accurately describe the relevant physical quantities, these calculations increase the…
Density functional theory and molecular dynamics simulations have been used to optimize the structure of nanowires of SiO2. The starting structures were based on b-cristobalite, orthotridymite, b-tridymite, and rutile crystals. The analysis…
Electronic structure properties of nanowires (NW) with diameters of 1.5 nm and 3 nm based on semimetallic $\alpha$-Sn are investigated by employing density functional theory and perturbative $GW$ methods. We explore the dependence of…
Finite graphene nanoribbon (GNR) heterostructures host intriguing topological in-gap states (Rizzo, D. J. et al.~\textit{Nature} \textbf{2018}, \textit{560}, 204]). These states may be localized either at the bulk edges, or at the ends of…
Pair density waves (PDWs) are a inhomogeneous superconducting states whose Cooper pairs possess a finite momentum resulting in a oscillatory gap in space, even in the absence of an external magnetic field. There is growing evidence for the…