نتایج جستجو برای: tight binding method

تعداد نتایج: 2050197  

Journal: :Computer Physics Communications 2021

Low dimensional structures in the non-trivial topological phase can host in-gap Majorana bound states, identified experimentally as zero-bias peaks differential conductance. Theoretical methods for studying modes are mostly based on bulk-boundary correspondence or exact diagonalization of finite systems via, e.g., Bogoliubov-de Gennes formalism. In this paper, we develop an efficient method ide...

2005
Tim E. CAWSTON Valerie A. CURRY

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...

Journal: :The Journal of chemical physics 2016
Max Boleininger Anne Ay Guilbert Andrew P Horsfield

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...

ربانی, حسن, سلیمانی, صادق, مردانی, محمد,

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...

اسماعیلی, آذر, ربانی, حسن, مردانی, محمد,

 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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