Related papers: Ab-initio Molecular Dynamics study of electronic a…
The energetic stability and electronic properties of hydrogenated silicon carbide nanowires (SiCNWs) with zinc blende (3C) and wurtzite (2H) structures are investigated using first-principles calculations within density functional theory…
Band gap modification for small-diameter (1 nm) silicon nanowires resulting from the use of different species for surface termination is investigated by density functional theory calculations. Because of quantum confinement, small-diameter…
This work focuses on understanding the nonlinear-optical response of a 1-D quantum wire embedded in 2-D space when quantum-size effects in the transverse direction are minimized using an extremely weighted delta function potential. Our aim…
Recent advances in hydrogen lithography on silicon surfaces now enable the fabrication of complex and error-free atom-scale circuitry. The structure of atomic wires, the most basic and common circuit elements, plays a crucial role at this…
The influence of local oxidation in silicon nanowires on hole transport, and hence the effect of varying the oxidation state of silicon atoms at the wire surface, is studied using density functional theory in conjunction with a Green's…
We evaluate the electronic, geometric and energetic properties of quasi 1-D wires formed by dangling bonds on Si(100)-H (2 x 1). The calculations are performed with density functional theory (DFT). Infinite wires are found to be insulating…
The formation of atomic wires via pseudomorphic step-edge decoration on vicinal silicon surfaces has been analyzed for Ga on the Si(112) surface using Scanning Tunneling Microscopy and Density Functional Theory calculations. Based on a…
We study for the first time the effect of the geometry of quantum wire networks on their nonlinear optical properties and show that for some geometries, the first hyperpolarizability is largely enhanced and the second hyperpolarizability is…
The geometrical and electronic structure properties of $<100>$ and $<110>$ silicon nanowires in the absence of surface passivation are studied by means of density-functional calculations. As we have shown in a recent publication [R. Rurali…
Electron conduction through quasi-one-dimensional (1D) indium atomic wires on silicon (the Si(111)-4x1-In reconstruction) is clarified with the help of local structural analysis using scanning tunneling microscopy. The reconstruction has a…
Bare Si(100)-2$\times$1 surface atoms exhibit a buckled structure where one Si atom in a dimer is lowered while the other is raised, leading to two possible buckling configurations equivalent in energy. The relatively low energy barrier…
In this paper we review the theory of silicon nanowires. We focus on nanowires with diameters below 10 nm, where quantum effects become important and the properties diverge significantly from those of bulk silicon. These wires can be…
Properties of cylindrical quantum wires are analysed in this paper. Energies of elementary excitations as well as one-particle wave functions were found for mentioned structure. For cylindrical quantum wires the temperature of phase…
We review the effects of Coulomb correlation on the linear and non-linear optical properties of semiconductor quantum wires, with emphasis on recent results for the bound excitonic states. Our theoretical approach is based on generalized…
Short dangling bond wires (DB wires), fabricated on H-terminated Si(001) surfaces, show patterns of displacement that depend on their length. We have performed density function calculations, with and without spin-polarisation, designed to…
Two new types of electro-optic effect that are linear in the applied electric field strength are theoretically predicted to exist in transparent dielectric crystals due to high order spatial dispersion. The first effect, which is quadratic…
The effect of a uniaxial strain on the optical spin orientation of a cubic semiconductor is investigated by calculating the valence wavefunctions, the optical oscillator strengths and the initial electron spin polarization for near resonant…
Absorption of circularly polarized light in semiconductors is known to result in optical orientation of electron and hole spins. It has been shown here that in semiconductor quantum well structures spin orientation of carriers can be…
We have performed four-probe electrical transport measurements on solitary highly crystalline wires of semimetallic bismuth with aspect ratios up to 60 at room and at cryogenic temperatures. By proper choice of the substrate material and…
We report on the circular and linear photogalvanic effects caused by free-carrier absorption of terahertz radiation in electron channels on (001)-oriented and miscut silicon surfaces. The photocurrent behavior upon variation of the…