The Seebeck coefficient is an important quantity in determining the thermoelectric efficiency of a material. Phosphorene two-dimensional material with puckered structure, which makes its properties anisotropic. In this work, phosphorene nanodisk (PDisk) radius 3.1 nm connected to two zigzag nanoribbons studied, numerically, by tight-binding and non-equilibrium Green’s function (NEGF) methods pr...

We assess the viability of topological semimetals for application in advanced interconnect technology, where conductor size is on order a few nanometers and grain boundaries are expected to be prevalent. investigate electron transport properties boundary scattering thin films CoSi CoGe using first-principles calculations combined with Non-Equilibrium Green's Function (NEGF) technique. Unlike co...

In this paper, utilising the non-equilibrium Green’s function (NEGF) formalism within new device simulator NESS (Nano-Electronic Software Simulator) developed at University of Glasgow’s Device Modelling Group, we present quantum mechanical simulations current flow in double-barrier III-V GaAs-AlGaAs nanowire resonant tunneling diodes (RTDs). is a fast and modular Technology Computer Aided Desig...

By using the tight-binding model and non-equilibrium Green's function method (NEGF), we study band structures transport properties of a silicene nanoribbon with line defect where bulk energy gap is opened due to sublattice symmetry breaking. The flat subband bends downwards or upwards effect defect. spin-orbit coupling induces quantum spin Hall states. Especially, depends on distance between ed...

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...

The quest for speed and complexity drives the miniaturisation of CMOS transistors down to the nanometre scale. At these dimensions quantum effects play an important role, introducing confinement effects and tunnelling. At the same time intrinsic fluctuations in device characteristics, for example due to discrete dopants, do not average out [1, 2]. In novel, thin body double gate (DG) MOSFETs, w...

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...

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...

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...