We theoretically study the optical conductivity of tightbinding model which has two types hopping integrals arranged in Fibonacci sequence. Due to lack translational symmetry, many peak structures appear as well density states. When ratio is large, self-similar structure appears conductivity. This implies that response between high-energy bands related within low-energy bands, should originate ...

Al&art-We have used a modified version of the sp%+ semi-empirical nearest-neighbor tightbinding formalism to compute the bandstructures of the II-VI zincblende compounds ZnTe, ZnSc. ZnS, and HgSc. Our scheme includes the effects of spin-orbit coupling and, in contrast to previous sp?F* schemes which fit differences in diagonal tightbinding matrix elements to atomic energy differences, it fits e...

We investigate the antiferromagnetically ordered state in half-filled Hubbard model on Socolar dodecagonal tiling. When interaction is introduced, staggered magnetizations suddenly appear, which results from existence of macroscopically degenerate states tightbinding model. The increase strength monotonically increases although its magnitude depends local environments. Magnetization profile dis...

Electron transport properties through single conjugated molecules sandwiched between two nonsuperconducting electrodes are studied by the use of Green’s function technique. Based on the tightbinding model, we do parametric calculations to characterize the electron transport through such molecular bridges. The electron transport properties are significantly influenced by (a) the existence of loc...

1. Abstract The spds-spin-orbit-coupled (SO) atomistic tightbinding (TB) model is coupled to Boltzmann transport formalism for calculation of the low-field mobility in Si nanowires (NWs). We show that the phonon limited mobility of p-type NWs in the [110] and [111] transport orientations largely increases by more than 7X as the diameter is scaled from D=12nm down to D=3nm. This effect is attrib...

The environment-dependent interaction potential is a transferable empirical potential for carbon which is well suited for studying disordered systems. Ab initio data are used to motivate and parametrize the functional form, which includes environment-dependence in the pair and triple terms, and a generalized aspherical coordination describing dihedral rotation and nonbonded π -repulsion. Simula...

A structure based on photonic crystals for optical wavelength demultiplexing is proposed and analyzed. This structure consists of two coupled-cavity waveguides, each one tuned at a different frequency transmission band. A model based on the tightbinding method taken from solid-state physics is used to design the working frequencies of the waveguides. The demultiplexing behavior is demonstrated ...

We investigate numerically the influence of Dirichlet boundary conditions on the nearest neighbor level spacing distribution P (s) of a two-dimensional disordered tightbinding model in the presence of a strong perpendicular magnetic field. From the calculation of the second moment of P (s) it is shown that for Dirichlet boundary conditions, due to the presence of edge states, the position of th...

Ideal models of complex materials must satisfy all available information about the system. Generally, this information consists of experimental data, information implicit to sophisticated interatomic interactions and potentially other a priori information. By jointly imposing first-principles or tightbinding information in conjunction with experimental data, we have developed a method: experime...

The discretized Schrödinger equation is most often used to solve onedimensional quantum mechanics problems numerically. While it has been recognized for some time that this equation is equivalent to a simple tightbinding model and that the discretization imposes an underlying bandstructure unlike free-space quantum mechanics on the problem, the physical implications of this equivalence largely ...