We give nonequilibrium Green's function (NEGF) perspective on thermodynamics formulations for open quantum systems strongly coupled to baths. Scattering approach implying thermodynamic consideration of a super-system (system plus baths) weakly external super-baths is compared with system its analyze both approaches from the NEGF and argue that latter yields possibility formulation consistent dy...

Since at the regime of nanometer, quantum confinement effects are observed and wave nature electrons is more dominant. Therefore, classical approach current formulation in mesoelectonics nanoelectronics results inaccuracy as it does not consider effect, which only applicable for bulk electronic device. For accurate modeling simulation nanoelectronics, device atomic-level mechanical models requi...

In this colloquia review we discuss methods for thermal transport calculations for nanojunctions connected to two semi-infinite leads served as heat-baths. Our emphases are on fundamental quantum theory and atomistic models. We begin with an introduction of the Landauer formula for ballistic thermal transport and give its derivation from scattering wave point of view. Several methods (scatterin...

The modeling of nano-electronic devices is a cost-effective approach for optimizing the semiconductor device performance and guiding fabrication technology. In this paper, we present capabilities new flexible multi-scale nano TCAD simulation software called Nano-Electronic Simulation Software (NESS). NESS designed to study charge transport in contemporary novel ultra-scaled devices. order simul...

Injecting spins into nonmagnetic molecular devices has attracted much attention in spintronics. Herein, we propose a novel strategy to introduce magnetism single benzene molecule coupled with two armchair graphene nanoribbons (AGNR) electrodes, where the ends of AGNR electrodes are cut zigzag-edge triangular graphenes (ZTGs). The spin-dependent transport properties junction investigated by usin...

Electrical and mechanical properties of gold-para-benzenedimethanethiol (BDMT)-gold molecular junctions with different binding configurations have been investigated using density functional theory (DFT) combined a non-equilibrium Green's function (NEGF) approach. We first determined the most stable structure in total electronic energy by geometry optimization junction. then studied how stretchi...

Photogalvanic effect (PGE) occurs in materials with non-centrosymmetric structures when irradiated by linearly or circularly polarized light. Here, using non-equilibrium Green’s function combined density functional theory (NEGF-DFT), we investigated the linear photogalvanic (LPGE) monolayers of group-V elements (As, Sb, and Bi) first-principles calculations. First, designing a two-probe structu...

This work studies the diameter scaling behavior of broken-band GaSb/InAs vertical nanowire (VNW) Esaki diodes. A top-down fabrication process involving precise reactive-ion etching and alcohol-based digital etch has yielded devices with a tunneling junction below 10 nm. Clear peaks are observed an average peak current density 1MA/cm <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlin...