Numerical simulation of electronic transport in zigzag-edged graphene nano-ribbon devices

We present a numerical study of the current-voltage characteristics in zigzag-edged graphene nano-ribbon (Z-GNR) devices. Our calculations employing the non-equilibrium Green’s function method and the density-functional tight-binding method show that the Z-GNR with transverse symmetry can exhibit remarkable current saturation behavior in spite of the absence of the bandgap. We further demonstrate that the saturation current can be controlled by the additional doping in the channel region. The mechanism of such current saturation can be explained in terms of the symmetry of the wavefunctions corresponding to the conduction and the valence bands in Z-GNR.     

First-principles versus semi-empirical modeling of global and local electronic transport properties of graphene nanopore-based sensors for DNA sequencing

Using first-principles quantum transport simulations, based on the nonequilibrium Green function formalism combined with density functional theory (NEGF+DFT), we examine changes in the total and local electronic currents within the plane of graphene nanoribbon with zigzag edges (ZGNR) hosting a nanopore which are induced by inserting a DNA nucleobase into the pore. We find a sizable change of the zero-bias conductance of two-terminal ZGNR + nanopore device after the nucleobase is placed into the most probable position (according to molecular dynamics trajectories) inside the nanopore of a small diameter \(D=1.2\) nm. Although such effect decreases as the nanopore size is increased to \(D=1.7\) nm, the contrast between currents in ZGNR + nanopore and ZGNR + nanopore + nucleobase systems can be enhanced by applying a small bias voltage \(V_b \lesssim 0.1\) V. This is explained microscopically as being due to DNA nucleobase-induced modification of spatial profile of local current density around the edges of ZGNR. We repeat the same analysis using NEGF combined with self-consistent charge density functional tight-binding (NEGF+SCC-DFTB) or self-consistent extended Hückel (NEGF+SC-EH) semi-empirical methodologies. The large discrepancy we find between the results obtained from NEGF+DFT vs. those obtained from NEGF+SCC-DFTB or NEGF+SC-EH approaches could be of great importance when selecting proper computational algorithms for in silico design of optimal nanoelectronic sensors for rapid DNA sequencing.     

First-principles quantum transport modeling of thermoelectricity in single-molecule nanojunctions with graphene nanoribbon electrodes

We overview the nonequilibrium Green function combined with density functional theory (NEGF-DFT) approach to modeling of independent electronic and phononic quantum transport in nanoscale thermoelectrics with examples focused on a new class of devices where a single organic molecule is attached to two metallic zigzag graphene nanoribbons (ZGNRs) via highly transparent contacts. Such contacts make possible injection of evanescent wavefunctions from the ZGNR electrodes, so that their overlap within the molecular region generates a peak in the electronic transmission around the Fermi energy of the device. Additionally, the spatial symmetry properties of the transverse propagating states in the semi-infinite ZGNR electrodes suppress hole-like contributions to the thermopower. Thus optimized thermopower, together with diminished phonon thermal conductance in a ZGNR|molecule|ZGNR inhomogeneous heterojunctions, yields the thermoelectric figure of merit ZT≃0.4 at room temperature with maximum ZT≃3 reached at very low temperatures T≃10 K (so that the latter feature could be exploited for thermoelectric cooling of, e.g., infrared sensors). The reliance on evanescent mode transport and symmetry of propagating states in the electrodes makes the electronic-transport-determined power factor in this class of devices largely insensitive to the type of sufficiently short organic molecule, which we demonstrate by showing that both 18-annulene and C10 molecule sandwiched by the two ZGNR electrodes yield similar thermopower. Thus, one can search for molecules that will further reduce the phonon thermal conductance (in the denominator of ZT) while keeping the electronic power factor (in the nominator of ZT) optimized. We also show how the often employed Brenner empirical interatomic potential for hydrocarbon systems fails to describe phonon transport in our single-molecule nanojunctions when contrasted with first-principles results obtained via NEGF-DFT methodology.     

Particle-based methods in computational electronics

As the density of integrated circuits increases, pressure to reduce the dimensions of the individual components also increases. Smaller circuit dimensions reduce the overall die area. However, as semiconductor feature sizes enter the nanometer-scale realm, the modeling of device behavior becomes increasingly complicated. The goal of computational electronics is to provide simulation tools that capture the essential physics issues while minimizing the computational burden. We give a brief overview of particle-based simulation techniques used in semiconductor device simulation. We begin with a discussion of the Monte Carlo method for the solution of the Boltzmann transport equation (BTE), including full-band effects. Some key elements of particle based simulation, such as the proper choice of mesh size and time step, as well as particle-mesh coupling and calculation of the current, are discussed. Typical particle based simulation results for the potential and current-voltage characteristics of a 23 nm MOSFET device follow.     

TiO2压敏陶瓷的极性及其阻抗谱分析

采用电子陶瓷工艺制备了施主-受主共掺TiO2基压敏-电容双功能元件。电流-电压（I-V）以及阻抗-电压（Z-V）、相角-电压（-V）、电容-电压（C-V）、介电损耗角正切-电压（D-V）等阻抗谱分析表明,TiO2压敏陶瓷存在典型的极性特征,可通过＂微极性区域＂模型对其进行解释。     

The Electrohydrodynamic Atomization of Liquids

The mechanism by which resistive liquids subjected to high electric potentials produce a filament and aerosol is still not well-understood. An experimental study of the onset parameters of this electrohydrodynamic (EHD) atomization mode is presented. Data on the effect of onset potential, capillary radius, liquid conductivity, and viscosity, together with an observed hysteresis in the current-voltage characteristics, provide the basis for a qualitative model of the phenomena presented here for the first time. The flow of liquid that produces the aerosol is understood in terms of the surface stress tensor.     

3D Monte Carlo Modeling of Thin SOI MOSFETs Including the Effective Potential and Random Dopant Distribution

We use the effective potential to include quantum mechanical effects in thin SOI MOSFETs simulated with 3D Monte Carlo. We explore the role of discrete dopant distributions on the threshold voltage of the device within the framework of the effective potential by examining the current-voltage behavior as well as the electron distributions within the device. We find that simulations with the effective potential produce a similar shift in current as classical simulations when the dopants are considered to have a random discrete distribution instead of a uniform distribution.     

Modeling of Discharge Lamp Characteristics by Using Floating Memristor Circuit Emulator with Tunable Threshold

Abstract

A gas discharge lamp is a device, which operates as a light source by producing electrical discharge in ionized gaseous medium. Discharge lamps are commonly used in the market and according to their physical properties they can be mainly classified in three different categories: high pressure, low pressure and high-intensity lamps. Ionized gases have tendency to produce ongoing discharges and finally electrical arcs, which exhibit memristor characteristics proposed by Leon Chua. This paper introduces a novel fully floating memristor circuit emulator with tunable threshold characteristics which mimic discharge lamp characteristics. In order to investigate discharge lamp characteristics a test set-up is designed and commercially available discharge lamps are tested. The proposed memristor circuit displays distinctive characteristics in contrast to well-known smooth switching memristor characteristics in terms of hard switching capability. Proposed memristor has unique switching behavior and fully capable of modeling discharge lamps since it satisfies required zero-crossing, pinched hysteresis and frequency dependent characteristics of the discharge lamps. The comparisons of the current-voltage characteristics for both memristor and discharge lamps are supplied and investigated.     

Non-equilibrium Green’s function (NEGF) simulation of metallic carbon nanotubes including vacancy defects

The electronic behavior of metallic carbon nanotubes under the influence of externally applied electric fields is investigated using the Non-Equilibrium Green’s function method self consistently coupled with three-dimensional (3D) electrostatics. A nearest neighbor tight binding model based on a single pz orbital for constructing the device Hamiltonian is used. The 3D Poisson equation is solved using the Finite Element Method. Carbon nanotubes exhibit a very weak metallic behavior, and external electric fields can alter the electrostatic potential of the tubes significantly. A single vacancy defect in the channel of a metallic carbon nanotube can decrease its conductance by a factor of two. More than one vacancy can further decrease the conductance.     

Time dependence of NOx removal rate by a corona radicalshower system

In this paper, the effects of flue gas flow rate and seed gas on the dynamics of corona discharge current-voltage characteristics and NO _x removal characteristics are experimentally investigated for a corona radical shower system. The corona discharge current-voltage characteristics have two operating modes which have a significant influence on NO_x removal characteristics, where the threshold value of the treatment gas to seed gas flow rate ratio is about 8. The hysteresis of corona current-voltage characteristics is observed in this system. For longer operational time, corona current and NO_x removal rate significantly changes with time. When the operation of the apparatus starts at relatively low applied voltage, the corona current under constant applied voltage increases with time to reach a maximum value, then decreasing with time to reach a steady state. At this condition, high NO_x removal efficiency can be achieved     

Unconventional magnetism in ZnO nanorods

ABSTRACT

We report room temperature ferromagnetism in vacuum annealed ZnO nanorods. ZnO nanorods were annealed at 600°C for 6 hours in an annealing chamber with a pressure of 10^?6 Torr. Our study indicates that ZnO nanorods develop room temperature ferromagnetism due to the presence of oxygen vacancy defects in it. Presence of large surface area of nanorods and oxygen vacancy are mainly responsible for the observed magnetic behavior.     

Observation of Long Transients in the Electrical Characterization of Thin Film BST Capacitors

Charge trapping is responsible for long transient leakage currents observed in parallel plate thin film BST capacitors. The presence of such time dependence complicates the measurement of leakage current as a function of an applied voltage, with the voltage sweep introducing hysteresis in the absence of ferroelectricity. The effect of long transients on current-voltage sweeps is discussed, as well as a method of obtaining current-voltage characteristics in the presence of transient leakage currents.     

继电保护装置用微型电流—电压变换器暂态特性分析

微型电流—电压变换器由于原理上的优点,在微机继电保护装置中得到了广泛的应用。微型电流—电压变换器具有磁芯,在短路电流的暂态过程中,磁性元件性能的非线性,影响微型电流—电压变换器的传变性能,使之传递信息不准确,波形畸变,继电保护装置会发生错误的动作,影响装置工作的可靠性。分析研究微型电流—电压变换器在暂态条件下的特性,对改进和合理使用微型电流—电压变换器,提高继电保护装置的工作可靠性很有意义。     

质子交换膜燃料电池中氢电极和氧电极性能的研究

采用三种活性碳和三种还原剂,通过化学还原得到Pt/C催化剂.将涂在碳布上的Pt/C催化剂在125℃下热压在Nafion膜上,制成氢电极和氧电极,用循环伏安和极化方法研究了Pt/C-Nafion膜电极的性能.结果表明,这种电极的性能主要与活性碳的种类有关,而制备催化剂的还原剂起着次要的作用.对质子交换膜燃料电池的电流-电压性能和放电行为进行了初步研究.     

伏安曲线拟合法研究燃料电池的极化阻力

伏安曲线是对燃料电池电性能进行表征的一项重要手段,通过对伏安曲线的拟合可以计算出电池的各类极化电阻.由于从理论出发推导出来的伏安曲线公式中含有对数项和难于测得的气体分压等参数,因此无法对其进行拟合.在对伏安曲线形状特征进行分析的基础上提出了一个具有实用价值的拟合公式.利用该公式对实验数据进行拟合得到的结果与原始数据之间有着很好的一致性,根据拟合公式还可以计算出电池在不同电流密度下各类极化电阻.     

DC conductivity of metal/DLC/Si/metal heterostructures

Electrical conduction of metal/DLC/silicon/metal heterostructures has been investigated, Both DLC/p-Si and DLC/n-Si systems shows rectifying properties. The current-voltage (I-V) characteristics of the heterostructures can be described well by the simplified diode equation with the ideality factor between 21.2 and 3.25, decreasing with increasing temperature. The directive tendency of I-V characteristics is independent of the type of silicon substrate. A simple qualitative band model of DLC/Si junction is proposed     

Some conditions for strong asymmetric double injection in insulators and semiconductors

Contents In this paper a space-charge transport model is studied. As a model system the planar capacitor is used. A boundary problem for space charge transport is presented. The effect of the mechanisms of carrier injection on the current-voltage characteristics is shown. It was found that the current-voltage characteristics can be strongly nonlinear.

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Einige Bedingungen für stark asymmetrische Doppelinjektion in Isolierstoffen und Halbleitern

Übersicht Ein Modell des Transportes von Raumladungen wird untersucht. Als Modellsystem wurde ein Plattenkondensator verwendet. Randprobleme des Raumladungstranportes werden dargestellt. Der Einfluß des Injektionsmechanismus auf die Strom-Spannungs-Kennlinien wird ebenfalls angegeban. Die Untersuchungen zeigen, daß die Kennlinien starke Nichtlinearitäten aufweisen können.

     

An improved analog electrical performance of submicron Dual-Material gate (DM) GaAs-MESFETs using multi-objective computation

In this paper, new modeling and optimization approaches are proposed to improve the electrical behavior of the submicron Dual-Material-gate (DM) Gallium Arsenide (GaAs)-MESFETs for analog circuit applications. The electrical properties such as current-voltage characteristics, transconductance, output conductance and drain to source resistance of the device have been ascertained and mathematical models have been developed. The proposed mathematical models are used to formulate the objective functions, which are the pre-requisite of genetic algorithm. The problem is then presented as a multi-objective optimization one, where the electrical parameters are considered simultaneously. Analog electrical parameters are also built for the three points sampled from the different locations of the Pareto front, and a discussion is presented for the Pareto relation between the small signal performances (analog behavior) and the design parameters. Therefore, the proposed technique is used to search for optimal electrical and dimensional parameters to obtain better electrical performance of the device for analog circuit applications. The proposed models have been validated by comparison with 2-D numerical simulations (SILVACO); the observed agreement with numerical simulations is quite good.     

Scaling dependence of electron transport in nano-scale Schottky barrier MOSFETs

The scaling dependence of electron transport in the double-gated Schottky barrier MOSFET (DG-SBT) below 10 nm is investigated in the framework of quantum transport theory, using non-equilibrium Green’s function method. Simulation results show that the current-voltage characteristics in ultra-small DG-SBT are characterized by both resonant and direct tunneling effects. The electron potential in the 10-nm-scale DG-SBT surrounded by Schottky barriers acts as a resonant cavity and produce a negative differential resistance due to resonant tunneling effect. While, further scaling shallows the depth of the cavity and makes it difficult to form resonance levels. Hence, at the scaling limit, direct tunneling currents simply dominate the current-voltage characteristics of DG-SBT.     

Novel properties of new type conducting and insulating polymers andtheir composites

Novel properties of recently developed conducting and insulating polymers and their composites are discussed. Properties of conducting polymer whose main chains are composed of unsaturated π-bonds depend strongly on the main chain structure, substituent and also molecular dopants. Various applications of conducting polymers such as electroluminescence (EL) elements, electrolyte capacitors, photoconductors, photovoltaic cells, superconductors and insulators at cryogenic temperature, are discussed by taking effects of molecular dopants such as C₆₀ into consideration. A new type of insulating polymer, syndiotactic polypropylene prepared by newly developed metallocene catalysts has been studied and found to exhibit much superior electrical, thermal and mechanical characteristics compared with those of conventional isotactic polypropylene, atactic polypropylene and polyethylene. These excellent characteristics originate from lower crystallinity, smaller spherulites and different crystal lattice than in isotactic polypropylene. Negligible degradation of syndiotactic polypropylene by contact with copper is interpreted in terms of difference of catalysts and suppression of diffusion of copper cation. New types of conducting polymer, insulating polymer composites were prepared. Their conductivity was controlled over more than 10 orders of magnitude by small amounts of a conducting polymer, polypyrrole, which can be interpreted in terms of the percolation model depending on the shape and density of polypyrrole coated insulating polymer particles. Nonlinear current-voltage characteristics were also studied