In this study, Polyaniline molecule (emeraldine base) is modeled as a molecular wire and the effects of the metal/molecule coupling strength and the molecule length on the current-voltage (I-V) characteristics are numerically investigated. Using a tight-binding Hamiltonian model, the methods based on Non-equilibrium Green’s function theory, Landauer formalism and Newns-Anderson model, our calcu...

Using the recently developed time-dependent Landauer-B\"uttiker formalism and Jefimenko's retarded solutions to Maxwell equations, we show how compute electromagnetic field produced by charge current densities in nanojunctions out of equilibrium. We then apply this a benzene ring junction that geometry-dependent quantum interference effects can be used control magnetic vicinity molecule. Then, ...

The Landauer-Büttiker formalism combined with the tight-binding transfer matrix method is used to describe the results of recent experiments: the high tunneling magnetoresistance (TMR) in (Ga,Mn)As-based trilayers and highly polarized spin injection in p-(Ga,Mn)As/n-GaAs Zener diode. For both TMR and Zener spin current polarization, the calculated values agree well with those observed experimen...

When combining lumped mesoscopic electronic components to form a circuit, quantum fluctuations of electrical quantities lead to a nonlinear electromagnetic interaction between the components, which is generally not understood. The Landauer-Büttiker formalism that is frequently used to describe noninteracting coherent mesoscopic components is not directly suited to describe such circuits since i...

An electric current flowing on the Poly(dA)-poly(dT) DNA molecule structure has been calculated. The was calculated from transmission probabilities by employing Landauer-Buttiker formalism. Green’s function technique used for obtaining probabilities. modeled within tight-binding Hamiltonian model approach. takes into account electron hopping parameters which are dependent magnetic field as well...

Electronic and transport properties of bilayer heterostructure under light irradiation are fundamental interest to improve functionality optoelectronic devices. We theoretically study the modification graphene heterostructures a time-periodic external field. The bulk electronic studied in Landauer-type configuration by using nonequilibrium Green's function formalism. To illustrate behavior diff...

Strain can tailor the band structures and properties of graphene nanoribbons (GNRs) with well-known emergent pseudo-magnetic fields corresponding pseudo-Landau levels (pLLs). We design one type zigzag GNR (ZGNR) reverse strains, producing opposite signs in lower upper half planes. Therefore, electrons propagate along interface as "snake states", experiencing Lorentz forces they cross zero field...

A local–orbital based ab initio approach to obtain the Green function for large heterogeneous systems is developed. First a Green function formalism is introduced based on exact diagonalization. Then the self energy is constructed from an incremental scheme, rendering the procedure feasible, while at the same time physical insight into different local correlation contributions is obtained. Subs...