Abstract The paper presents a device simulator for computing transport characteristics from first principles. developed computer program effectively performs large-scale parallel calculation of quasi-one-dimensional quantum in realistic nanoscale devices with thousands atoms the cross section area channel. Our is based on real-space Kohn–Sham Hamiltonian density functional theory and improved n...

abstract: this paper is the first study on the impact of ambient temperature on the electrical characteristics and high frequency performances of double gate armchair graphene nanoribbon field effect transistor (gnrfet). the results illustrate that the gnrfet under high temperature (ht-gnrfet) has the highest cut-off frequency, lowest sub-threshold swing, lowest intrinsic delay and power delay ...

Knockout nuclear reactions, in which a nucleon is removed from nucleus as result of the collision with another nucleus, have been widely used an experimental tool, both to populate isotopes further stability and obtain information about single-particle nature spectrum. In order fully exploit information, theory needed for description structure nuclei involved, dynamics associated removal mechan...

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...

Considering von Neumann expression for reduced density matrix as thermodynamic entropy of a system strongly coupled to baths, we use nonequilibrium Green's function (NEGF) techniques derive bath and energy resolved expressions entropy, production, information flows. The consideration is consistent with dynamic (quantum transport) description reduce expected forms in limiting cases weak coupling...

We use a state of the art linux cluster for quantum simulations of nanoscale devices. The simulator nanoMOS2.0 can be accessed through the Purdue University Network Computing Hub (PUNCH) that interoperates with the cluster through the Portable Batch System. NanoMOS2.0 is also modified to speed up the energy integration by distributing the energy grid over several processors. A 88% speed-up is a...

With device dimensions shrinking to nanoscales, quantum effects such as confinement and tunneling become significant in electron transport. In addition, scattering effects such as electron-phonon scattering, electron-impurity scattering also affect carrier transport through small-scale devices. Currently most of the commonly used transport models are particle based with quantum corrections inco...

Abstract Using accurate dissipative DFT-NEGF atomistic-simulation techniques within the Wannier-Function formalism, we give a fresh look at possibility of sub-10-nm scaling for high-performance complementary metal oxide semiconductor (CMOS) applications. We show that combination good electrostatic control together with high mobility is paramount to meet stringent roadmap targets. Such requireme...