For a molecule moving near a single metal surface at equilibrium, following von Oppen and coworkers [N. Bode, S. V. Kusminskiy, R. Egger, and F. von Oppen, Beilstein J. Nanotechnol. 3, 144 (2012)] and using a nonequilibrium Green’s-function (NEGF) approach, we derive a very general form of electronic friction that includes non-Condon effects. We then demonstrate that the resulting NEGF friction...

The graphene-based Field Effect Transistors (GFETs), due to their multi-parameter characteristics, are growing rapidly as an important detection component for the apt of disease biomarkers, such DNA, in clinical diagnostics and biomedical research laboratories. In this paper, non-equilibrium Green function (NEGF) is used create a compact model GFET ballistic regime building block DNA sensors. p...

A deeper understanding of quantum effects in nano-electronic devices helps to improve the functionality and to develop new device types. The performance of carbon nanotube (CNT) field-effect transistor is studied using the non-equilibrium Green’s function (NEGF) formalism. The effects of elastic and inelastic scattering and the impact of parameters, such as electron–phonon coupling strength and...

We present an efficient approach to study the carrier transport in graphene nanoribbon (GNR) devices using the non-equilibrium Green's function approach (NEGF) based on the Dirac equation calibrated to the tight-binding π-bond model for graphene. The approach has the advantage of the computational efficiency of the Dirac equation and still captures sufficient quantitative details of the bandstr...

INTRODUCTION With the shrinking dimension of electronic devices, quantum transport attracts increasing interest. The non-equilibrium Green’s function (NEGF) formalism [1] provides a very general framework for quantum transport, but it is numerically expensive when applied on atomistic tight binding representations. So far, computational burden (in memory and CPU time) limits the maximum diamete...

In this paper, we have carried out a numerical simulation of FinFETs. The model is based on 1D non-equilibrium Green’s function (NEGF) along the channel and 2-D Schrödinger equation in the confined cross section and provides insights into the performance of FinFETs with ultra small channel cross section. The simulation results of FinFETs show normal I-V characteristics with great potential in s...

The HF-GKBA offers an approximate numerical procedure for propagating the two-time non-equilibrium Green's function(NEGF). Here we compare to exact results a variety of systems with long and short-range interactions, different two-body interaction strengths various preparations. We find excellent agreement between time evolution in models when more realistic long-range exponentially decaying in...

This work deals with the modeling and the numerical simulation of quantum transport in multidimensional open nanoscale devices. The electron transport in the device is described using the Non-Equilibrium Green’s Functions (NEGF) formalism and the variational form of the problem is solved using the finite element method (FEM). In this approach, the derivation of the boundary conditions at the in...

We review one of the most versatile theoretical approaches to study time-dependent correlated quantum transport in nano-systems: non-equilibrium Green's function (NEGF) formalism. Within this formalism, can treat, on same footing, inter-particle interactions, external drives and/or perturbations, and coupling baths with a (piece-wise) continuum set degrees freedom. After historical overview the...

We present a numerical method in this paper to calculate time-dependent transport properties in mesoscopic systems. This method recursively computes the non-equilibrium Green’s functions (NEGF) in the time domain. In the simulations, we utilize a dynamically allocated data structure to compute current densities in response to input signals of any time duration and arbitrary shape. To demonstrat...