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A defective double stranded poly(dG)-poly(dC) DNA molecule under axial mechanical strain is analyzed using a tight-binding computational model which allows calculation of the transmission and current characteristics of the system as a function of electron energy. Results show the existence of highly sensitive electron transmission behavior with respect to the on-site energy perturbations.
We present a numerical method which allows an approximate but fast computation of the potential profile in a graphene sample subject to the electrostatic action of biased gates, including the effect of different contributions, such as those from doping or from charged impurities. The procedure is applied to the evaluation of the effect of a biased probe, coupled to the graphene flake through a space-dependent...
The calculation of electron-phonon interaction from first principles has recently become feasible using density-functional perturbation theory (Quantum Espresso) [1] and the small displacement method (GPAW) [2]. We determine the strength of the electron-phonon interaction using the Vienna Ab-Initio Simulation Program (VASP) [3] with the small displacement method using PHONOPY [4]. We illustrate our...
The effect of exchange interaction on the scattering probabilities of two electrons injected simultaneously from different sources into a tunneling barrier is analyzed using time-dependent antisymmetric wave functions. Quantum noise for two electrons is calculated using this algorithm showing excellent agreement with Bu¨ttiker results for typical scenarios, while new results are obtained for more...
The electron spin properties in semiconductors are of great interest because of their potential in future spin-driven microelectronic devices. We performed simulations on electron spin injection in an n-doped silicon bar from a magnetic semiconductor with spin-dependent conductivity. A variation of doping can introduce charge accumulation/depletion layer at the interface. We found substantial spin...
By means of atomistic Tight Binding simulations, we study heterostructures made of an armchair BN nanoribbon sided by two armchair graphene ribbons where a high band gap can be opened. We show that this band gap can be significantly suppressed by applying a relatively weak transverse electric field. This effect can be used to strongly enhance the on/off current ratio higher in graphene transistors.
The Wigner-Liouville (WL) equation is well suited to describe electronic transport in semiconductor devices. In the effective mass approximation the one dimensional WL equation reads ∂/∂t f(x, p, t) + p/m ∂/∂x f(x, p, t) − 1/h2 ∫ dp' W(x, p − p')f(x, p', t) = 0; (1) with the Wigner kernel given by W(x, p) = −i/2π ∫ dx' exp (−i px'/h) [V (x + x'/2) − V (x-x'/2)].(2) The Wigner kernel introduces a non-local...
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