Related papers: Silicon nanowire band gap modification
This paper reviews the theoretical work undertaken using density functional theory (DFT) to explore graphene's interactions with its surroundings. We look at the impact of substrates, gate dielectrics and edge effects on the properties of…
Using a first-principle approach beyond density functional theory we calculate the electronic and optical properties of small diameter CdSe nanowires.Our results demonstrate how some approximations commonly used in bulk systems fail at this…
We have shown how the interplay between the broken symmetry associated with the finite single-wall nanotubes (SWNT) and the boundary conditions affects the electronic properties of SWNTs in a profound way. For finite SWNTs (p,q)…
Metal-semiconductor contacts play a key role in electronics. Here we show that for quasi-one dimensional (Q1D) structures such as nanotubes and nanowires, side contact with the metal only leads to weak band realignment, in contrast with…
InGaAs gate-all-around nanowire MOSFETs with channel length down to 50nm have been experimentally demonstrated by top-down approach. The nanowire size-dependent transport properties have been systematically investigated. It is found that…
Thorough spectral study of the intrinsic single-photon detection efficiency in superconducting TaN and NbN nanowires with different widths shows that the experimental cut-off in the efficiency at near-infrared wavelengths is most likely…
Electronic structures of wurtzite GaAs nanowires in the [0001] direction were studied using first-principles calculations. It was found that the band gap of GaAs nanowires experience a direct-to-indirect transition when the diameter of the…
We use fully self-consistent GW calculations on diamond and silicon carbide to reparametrize the Heyd-Scuseria-Ernzerhof exact exchange density functional for use in band structure calculations of semiconductors and insulators. We show that…
We report a first-principles study of the electronic structure of functionalized graphene nano-ribbon (aGNRs-f) by organic functional group (CH2C6H5) and find that CH2C6H5 functionalized group does not produce any electronic states in the…
Nanowires play a pivotal role across a spectrum of disciplines such as nanoelectromechanical systems, nanoelectronics, and energy applications. As nanowires continue to diminish in dimensions, their mechanical characteristics are…
Silicon nanowires have attracted considerable interest due to their wide-ranging applications in nanoelectromechanical systems and nanoelectronics. Molecular dynamics simulations are powerful tools for studying the mechanical properties of…
CdS nanotubes with wall thickness comparable to excitonic diameter of the bulk material are synthesized by a chemical route. A change in experimental conditions result in formation of nanowires, and well-separated nanoparticles. The…
Recent works have shown how the electrical properties of graphene nanoribbons (GNRs) show a size-dependence in terms of resistivity, charge neutrality point (CNP) and band structure once their widths drop below approximately 50 nm. It has…
Superconducting properties of metallic nanowires can be entirely different from those of bulk superconductors because of the dominating role played by thermal and quantum fluctuations of the order parameter. For superconducting wires with…
The role of graded interfaces between materials in a cylindrical free-standing quantum wire with longitudinal heterostructures is theoretically investigated, by solving the Schr\"odinger equation within the effective mass approximation.…
We consider theoretically a semiconductor nanostructure embedded in one-dimensional microcavity and study the modification of its electron energy spectrum by the vacuum fluctuations of the electromagnetic field. To solve the problem, a…
Based on first-principles calculations, we present a quantum confinement mechanism for the band gaps of blue phosphorene nanoribbons (BPNRs) as a function of their widths. The BPNRs considered have either armchair or zigzag shaped edges on…
The interactions between the layers of double-walled carbon nanotubes induce measurable shift of the G bands relative to the isolated layers. While experimental data on this shift in free-standing double-walled carbon nanotubes has been…
Density functional methods have been used to calculate the electronic properties of aligned smalldiameter single-walled carbon nanotubes under hydrostatic pressures. Abrupt pressure induced semiconductor-metal and metal-semiconductor…
The strong non-linear increase in Cu interconnect line resistance with a decrease in linewidth presents a significant obstacle to their continued downscaling. In this letter we use first principles density functional theory based electronic…