相关论文: Silicon nanowire band gap modification

The electronic band structures of two-dimensional materials are significantly different from those of their bulk counterparts, due to quantum confinement and strong modifications of electronic screening. An accurate determination of…

Contrary to the conventional empirical law, band gap of dilute nitride semiconductors decreases with nitrogen concentration. In spite of a number of investigations, origin of this "large band gap bowing", is still under debate. In order to…

Low dimensional materials provide the possibility of improved thermoelectric performance due to the additional length scale degree of freedom for engineering their electronic and thermal properties. As a result of suppressed phonon…

We calculate the electronic structure for a modulation doped and gated T-shaped quantum wire using density functional theory. We calculate the bandgap renormalization as a function of the density of conduction band electrons, induced by the…

Reductive hydrogenation was applied to two types of single-walled carbon nanotubes with different diameter range. Alkali metal intercalation, followed by reaction with methanol, led to hydrogenated products. Both yield and selectivity of…

The unknown quantum electronic conductance across nanojunctions made of silicon-doped carbon wires between carbon leads is investigated. This is done by an appropriate generalization of the phase field matching theory for the…

We use an efficient projection scheme for the Fock operator to analyze the size dependence of silicon quantum dots (QDs) electronic properties. We compare the behavior of hybrid, screened hybrid and local density functionals as a function…

Coupling of two dielectric wires with rectangular cross-section gives rise to bonding and anti-bonding resonances. The latter is featured by extremal narrowing of the resonant width for variation of the aspect ratio of the cross-section and…

The electronic structure, specific heat, and thermal conductivity of silicon embedded in a monolayer graphene nanosheet are studied using Density Functional Theory. Two different shapes of the substitutional Si doping in the graphene are…

A modified phonon confinement model considering the size distribution, an improved phonon dispersion curve and a confinement function is developed for the calculation of size dependent Raman spectra of the silicon (Si) nanocrystals. The…

Primary metallic, or small gap semiconducting nanotubes, are tubes with band gaps that arise solely from breaking the bond symmetry due to the curvature. We derive an analytic expression for these gaps by considering how a general symmetry…

We present measurements of Shubnikov-de Haas oscillations in arrays of bismuth nanowires with diameters comparable to the Fermi wavelength. For 80-nm wires the hole concentration is less than 30% of that for bulk Bi, consistent with current…

The boundaries of waveguides and nanowires have drastic influence on their coherent scattering properties. Designing the boundary profile is thus a promising approach for transmission and band-gap engineering with many applications. By…

Density functional theory and density functional tight-binding are applied to model electron transport in copper nanowires of approximately 1 nm and 3 nm diameters with varying crystal orientation and surface termination. The copper…

In order to provide a quantitatively accurate description of the band gap variation with sizes in various II-VI semiconductor nanocrystals, we make use of the recently reported tight-binding parametrization of the corresponding bulk…

In this study, oxygen vacancies and adatoms have been considered on the surface of both hexagonal and triangular ZnO nanowires. Their effect on the electronic structure and optical spectra of the nanowires have been investigated using the…

We investigate the effects of electron and acoustic-phonon confinement on the low-field electron mobility of thin square silicon nanowires (SiNWs) that are surrounded by SiO$_2$ and gated. We employ a self-consistent…

Using density functional theory, the electronic structures of single walled molybdenum disulfide nanotubes (MoS$_2$ NTs) were investigated as a function of diameter. Our calculations show that the electronic structure near the band gap is…

The band gap of a semiconducting single wall carbon nanotube decreases and eventually vanishes leading to metalization as a result of increasing radial deformation. This sets in a band offset between the undeformed and deformed regions of a…

A mechanism to modify the energy band structure is proposed by considering a chain of periodic scatterers forming a linear lattice around which an external cylindrical trapping potential is applied along the chain axis. When this trapping…