نتایج جستجو برای: tight binding
تعداد نتایج: 453770 فیلتر نتایج به سال:
In this paper, we examined the effect of gate voltage, bias voltage, contact geometries and the different bond lengths on the electrical transport properties in a nanostructure consisting of C60 molecule attached to two semi-infinite leads made of single wall carbon nanotubes in the coherent regime. Our calculation was based on the Green’s function method within nearest-neighbour tight-binding...
In this paper energy bands and Berry curvature of graphene was studied. Desired Hamiltonian regarding the next-nearest neighbors obtained by tight binding model. By using the second quantization approach, the transformation matrix is calculated and the Hamiltonian of system is diagonalized. With this Hamiltonian, the band structure and wave function can be calculated. By using calculated wave f...
Connective-tissue cells produce a family of metalloproteinases which, once activated, can degrade all the components of the extracellular matrix. These potent-enzymes are all inhibited by the tissue inhibitor of metalloproteinases (TIMP), and it was thought that the levels of this inhibitor controlled the extracellular activity of these enzymes. We recently detected a new metalloproteinase inhi...
To interpret ultrafast dynamics experiments on large molecules, computer simulation is required due to the complex response to the laser field. We present a method capable of efficiently computing the static electronic response of large systems to external electric fields. This is achieved by extending the density-functional tight binding method to include larger basis sets and by multipole exp...
In this study, we investigated the spin dependent electronic transport of a fishbone-like nanostructure including two magnetic atoms at its ends. The electronic conductance of this nanostructure for three different orientations of atomic magnetic moments was numerically studied when the structure was sandwiched between two nonmagnetic leads. By using Green’s function technique at the tight-bind...
In this paper, we study the electronic conductance and density of states for a comb-like polymer with periodic hopping energies in the tight-binding approach. Electron transmission coefficient and density of states are analytically calculated by using Green’s function of the system. The results show that the electronic conductance spectrum has one energy gap in the absence of carbon-hydrogen b...
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