采用有限元方法研究轻掺杂源漏结构对异质栅MOSFET的性能影响(英文)

提出了一种轻掺杂源漏结构结合异质材料双栅结构的MOSFET(简称LDDS-HMG-MOSFET)。使用二维非平衡格林函数(NEGF)对该结构进行仿真,其中非平衡格林函数的计算使用有限元法(FEM)。仿真结果表明,在该新型结构中,异质栅结构能够降低漏电流从而能够有效抑制漏极感应势垒较低效应(DIBL),LDDS结构能够增加有效栅长,有效抑制带带隧穿效应(BTBT)和热电子效应。因此,与传统单材料栅结构的MOSFET(简称C-MOSFET)相比,LDDS-HMG-MOSFET具有更加优越的性能、更低的漏电流和更大的开关电流比(Ion/Ioff)。

Improved double-gate armchair silicene nanoribbon field-effect-transistor at large transport bandgap

The electrical characteristics of a double-gate armchair silicene nanoribbon field-effect-transistor （DG ASiNR FET） are thoroughly investigated by using a ballistic quantum transport model based on non-equilibrium Green＇s function （NEGF） approach self-consistently coupled with a three-dimensional （3D） Poisson equation. We evaluate the influence of variation in uniaxial tensile strain, ribbon temperature and oxide thickness on the on-off current ratio, subthreshold swing, transconductance and the delay time of a 12-nm-length ultranarrow ASiNR FET. A novel two-parameter strain mag- nitude and temperature-dependent model is presented for designing an optimized device possessing balanced amelioration of all the electrical parameters. We demonstrate that employing HfO2 as the gate insulator can be a favorable choice and simultaneous use of it with proper combination of temperature and strain magnitude can achieve better device performance. Furthermore, a general model power （GMP） is derived which explicitly provides the electron effective mass as a function of the bandgap of a hydrogen passivated ASiNR under strain.

Electron transport in electrically biased inverse parabolic double-barrier structure

A theoretical study of resonant tunneling is carried out for an inverse parabolic double-barrier structure subjected to an external electric field. Tunneling transmission coefficient and density of states are analyzed by using the non-equilibrium Green＇s function approach based on the finite difference method. It is found that the resonant peak of the transmission coefficient, being unity for a symmetrical case, reduces under the applied electric field and depends strongly on the variation of the structure parameters.

Electronic Transport Through N24B24 Molecular Junction

We have investigated the electron transport properties of a N24B24 molecule coupled to two metallic contacts with a combination of GW approximation and the non-equilibrium Green＇s- function technique. The calculations indicate that the four and three resonant tunneling peaks are seen for the density of states （DOS） curves in the cases of single and multiple atomic contacts, respectively. The off state and negative differential resistance （NDR） effect are observed in the I-V characteristics of the N24B24 molecule. The NDR behavior is also observed in voltages of about 354.5, 354, 354.6, and 354.3 V for one, four, six, and eight atomic contacts. Also, the I-V characteristics of N24B24 are in off state at low voltages that is independent of the contact types. The current contact types and indicate that N24B24 molecule curves against the gate voltage depend on behaves as a semiconductor.

Stability of conductance oscillations in carbon atomic chains

The conductance stabilities of carbon atomic chains （CACs） with different lengths are investigated by performing the- oretical calculations using the nonequilibrium Green＇s function method combined with density functional theory. Regular even-odd conductance oscillation is observed as a function of the wire length. This oscillation is influenced delicately by changes in the end carbon or sulfur atoms as well as variations in coupling strength between the chain and leads. The lowest unoccupied molecular orbital in odd-numbered chains is the main transmission channel, whereas the conductance remains relatively small for even-numbered chains and a significant drift in the highest occupied molecular orbital resonance to- ward higher energies is observed as the number of carbon atoms increases. The amplitude of the conductance oscillation is predicted to be relatively stable based on a thiol joint between the chain and leads. Results show that the current-voltage evolution of CACs can be affected by the chain length. The differential and second derivatives of the conductance are also provided.

Novel attributes and design considerations of effective oxide thickness in nano DG MOSFETs

Impacts of effective oxide thickness on a symmetric double-gate MOSFET with 9-nm gate length are studied, using full quantum simulation. The simulations are based on a self-consistent solution of the two-dimensional （2D） Poisson equation and the Schr6dinger equation within the non-equilibrium Green＇s function formalism. Oxide thickness and gate dielectric are investigated in terms of drain current, on-off current ratio, off current, sub-threshold swing, drain induced barrier lowering, transconductance, drain conductance, and voltage. Simulation results illustrate that we can improve the device performance by proper selection of the effective oxide thickness.

Tuning the type of charge carriers in N-heterocyclic carbene-based molecular junctions through electrodes

Designing tunable molecular devices with different charge carriers in single-molecule junctions is crucial to the nextgeneration electronic technology.Recently,it has been demonstrated that the type of charge carriers depends on and can be tuned by controlling the molecular length and the number of interfacial covalent bonds.In this study,we show that the type of charge carriers can also be tuned by controlling the material and shape of electrodes.N-heterocyclic carbenes(NHCs)have attracted attention because of their ability to form strong,substitutional inert bonds in a variety of metals.Also,NHCs are more stable than the widely used thiol group.Therefore,we use electrodes to tune the type of charge carriers in a series of NHCs with different side groups.The ab initio calculations based on non-equilibrium Green’s formalism combined with density functional theory show that the dominant charge carrier switches from electrons to holes when gold electrodes are changed into platinum ones.The nature of the charge carriers can be identified by variations in the transport spectra at the Fermi level(EF),which are caused by the side groups.The projections of transport spectra onto the central molecules further validate our inferences.In addition,the transmission coefficient at EF is found to be dependent on the atomic interface structure.In particular,for the NHC without methyl or ethyl side groups,connecting a protruding atom on the electrode surface significantly enhances the transportability of both electrode materials.Overall,this study presents an effective approach to modifying transport properties,which has potential applications in designing functional molecular devices based on NHCs.

Application of real space Kerker method in simulating gate-all-around nanowire transistors with realistic discrete dopants

We adopt a self-consistent real space Kerker method to prevent the divergence from charge sloshing in the simulating transistors with realistic discrete dopants in the source and drain regions. The method achieves efficient convergence by avoiding unrealistic long range charge sloshing but keeping effects from short range charge sloshing. Numerical results show that discrete dopants in the source and drain regions could have a bigger influence on the electrical variability than the usual continuous doping without considering charge sloshing. Few discrete dopants and the narrow geometry create a situation with short range Coulomb screening and oscillations of charge density in real space. The dopants induced quasilocalized defect modes in the source region experience short range oscillations in order to reach the drain end of the device.The charging of the defect modes and the oscillations of the charge density are identified by the simulation of the electron density.

Crossover to Quantized Thermal Conductance in Nanotubes and Nanowires

Using the non-equilibrium Green’s function techniques with interatomic potentials, we study the temperature dependence and the crossover of thermal conductance from the usual behavior proportional to the cross-sectional area at room temperature to the universal quantized behavior at low temperature for carbon nanotubes, silicon nanowires, and diamond nanowires. We find that this crossover of thermal conductance occurs smoothly for the quasi-one-dimensional materials and its universal behavior is well reproduced by the simplified model characterized by two parameters.

Photon-assisted electronic and spin transport through two T-shaped three-quantum-dot molecules embedded in an Aharonov-Bohm interferometer

We investigate the time-modulated electronic and spin transport properties through two T-shaped three-quantum-dot molecules embedded in an Aharonov-Bohm（A-B） interferometer. By using the Keldysh non-equilibrium Green＇s function technique, the photon-assisted spin-dependent average current is analyzed. The T-shaped three-quantum-dot molecule A-B interferometer exhibits excellent controllability in the average current resonance spectra by adjusting the interdot coupling strength, Rashba spin-orbit coupling strength, magnetic flux, and amplitude of the time-dependent external field.Efficient spin filtering and multiple electron-photon pump functions are exploited in the multi-quantum-dot molecule A-B interferometer by a time-modulated external field.

Nano-Electronic Simulation Software (NESS): A Novel Open-Source TCAD Simulation Environment

This paper presents the latest status of the open source advanced TCAD simulator called Nano-Electronic Simulation Software(NESS)which is currently under development at the Device Modeling Group of the University of Glasgow.NESS is designed with the main aim to provide an open,flexible,and easy to use simulation environment where users are able not only to perform numerical simulations but also to develop and implement new simulation methods and models.Currently,NESS is organized into two main components:the structure generator and a collection of different numerical solvers;which are linked to supporting components such as an effective mass extractor and materials database.This paper gives a brief overview of each of the components by describing their main capabilities,structure,and theory behind each one of them.Moreover,to illustrate the capabilities of each component,here we have given examples considering various device structures,architectures,materials,etc.at multiple simulation conditions.We expect that NESS will prove to be a great tool for both conventional as well as exploratory device research programs and projects.

Nonequilibrium Green＇s function method for quantum thermal transport

This review deals with the nonequilibrium Green＇s function （NEGF） method applied to the problems of energy transport due to atomic vibrations （phonons）, primarily for small jtmction systems. We present a pedagogical introduction to the subject, deriving some of the well-known results such as the Laudauer-like formula for heat current in ballistic systerms. The main aim of the review is to build the machinery of the method so that it can be applied to other situations, which are not directly treated here. In addition to the above, we consider a nmnber of applications of NEGF, not in routine model system calculations, but in a few new aspects showing the power and usefulness of the formalism. In partkaflar, we discuss the problems of multiple leads, coupled left-right-lead system, and system without a center. We also apply the method to the problem of full counting statisties. In the case of nonlinear svstems, we make general comments on the thermal expansion effect. phonon relaxation timv. and a certain class of mean-field approximations. Lastly, we examine the relationship between NEGF. reduced density matrix, and master equation approaches to thermal transport,

Dynamical localization effect in a coupled quantum dot array driven by an AC magnetic field

We have studied the transport properties of a ring-coupled quantum dot array driven by an AC magnetic field, which is connected to two leads, and we give the response of the transport current to the dynamical localization. We found that when the ratio of the magnetic flux to the total quantum dots number is a root of the zeroth order Bessel function, dynamical localization and collapse of quasi-energy occurs and importantly~ the transport current displays a dip which is the signal of dynamical localization. The dynamical localization effect is strengthened as a result of the increase of the quantum dot number, and it is weakened on account of the increase of the dots-lead hopping rate.

Quantum simulation study of double gate hetero gate dielectric and LDD doping graphene nanoribbon p–i–n tunneling FETs

We perform a theoretical study of the effects of the lightly doped drain （LDD） and high-k dielectric on the performances of double gate p-i-n tunneling graphene nanoribbon field effect transistors （TFETs）. The models are based on non-equilibrium Green＇s functions （NEGF） solved self-consistently with 3D-Poisson＇s equations. For the first time, hetero gate dielectric and single LDD TFETs （SL-HTFETs） are proposed and investigated. Simulation results show SL-HTFETs can effectively decrease leakage current, sub-threshold swing, and increase on-off current ratio compared to conventional TFETs and Si-based devices; the SL-HTFETs from the 3p ＋ 1 family have better switching characteristics than those from the 3p family due to smaller effective masses of the former. In addition, comparison of scaled performances between SL-HTFETs and conventional TFETs show that SL-HTFETs have better scaling properties than the conventional TFETs, and thus could be promising devices for logic and ultra-low power applications.

Quantum conductance of armchair carbon nanocoils: roles of geometry effects

Armchair carbon nanocoils (CNCs) with different geometric parameters are constructed and optimized using a tight-binding (TB) total energy model. The quantum conductance of these nanocoils is simulated employing a π-orbital TB model incorporated with the non-equilibrium Green's function theory. Compared with the perfect armchair carbon nanotubes (CNTs) and armchair CNTs with only Stone-Wales (SW) defects, the quantum conductance spectra of the armchair CNCs present distinct gaps around the Fermi level, which are mainly originated from the existence of sp3 carbon in the three-dimensional spiral structures. Moreover, the detailed conductance spectra of the armchair CNCs depend sensitively on their geometric parameters, such as tubular diameter and block-block distance.

Working mechanism of a SiC nanotube NO_2 gas sensor

The working mechanism of sensors plays an important role in their simulation and design, which is the foundation of their applications. A model of a nanotube NO2 gas sensor system is established based on an （8, 0） silicon carbide nanotube （SiCNT） with a NO2 molecule adsorbed. The transport properties of the system are studied with a method combining density functional theory （DFT） with the non-equilibrium Green＇s function （NEGF）. The adsorbed gas molecule plays an important role in the transport properties of the gas sensor, which results in the formation of a transmission peak near the Fermi energy. More importantly, the adsorption leads to different voltage current characteristics of the sensor to that with no adsorption; the difference is large enough to detect the presence of NO2 gas.

Negative differential resistance in a molecular junction of carbon nanotube and benzene

We propose a novel molecular junction with single-walled carbon nanotubes as electrodes bridged by a benzene molecule, in which the electrodes are saturated by different terminations (C-, H- and N-). It is found that the different terminations at the carbon nanotube ends strongly affect the electronic transport properties of the junction. The current-voltage (I-V) curve of the N-terminated carbon nanotube junction shows a more striking nonlinear feature than that of the C- and H-terminated junctions at small bias. Moreover, the negative differential resistance behaviors can be observed significantly in the N-terminated carbon nanotube junction, whereas not in the other two cases.

Negative differential resistance behaviors in OPE derivatives combined C_(60) molecular junctions modulated with side groups

By applying non-equilibrium Green's functions (NEGF) in combination with the density functional theory (DFT), we investigate the electronic transport properties of molecular junctions constructed by OPE derivatives with different side groups combined C60 molecules. The results show that the side groups play an important role in the properties of electron transport. Negative differential resistance (NDR) is observed in such devices. Especially for the molecule with electron-donating group ( OCH3), two NDR appear at different bias voltage regions. And the mechanism is proposed for the NDR behavior, owing to the shift of the molecular orbitals caused by the change in molecule charge.

Current noises in a topological Josephson junction

We study the transport properties of a superconductor-quantum spin Hall insulator-superconductor Josephson junction both in the absence and in the presence of a DC bias voltage. As the system is predicted to host Majorana fermions at its interfaces,the Andreev bond states are supposed to exhibit a distinct 4π periodicity in the superconducting phase difference, namely the fractional Josephson effect. Using the non-equilibrium Green's function method, we calculate the current and the related current noise based on a tight-binding Hamiltonian. Our direct results show that the fractional Josephson effect can not be seen in equilibrium junctions. While in non-equilibrium junctions, this effect can be confirmed by the multiple Andreev reflections induced peaks of the non-equilibrium noise, which appear at discrete frequencies ω = ne V with n being an integer number.

Investigation of Terminal Group Effect on Electron Transport Through Open Molecular Structures

The effect of terminal groups on the electron transport through metal-molecule-metal system has been investigated using nonequilibrium Green's function (NEGF) formalism combined with extended Huckel theory (EHT). Au-molecule-Au junctions are constructed with borazine and BCN unit structure as core molecule and sulphur (S), oxygen (O), selenium (Se) and cyano-group (CN) as terminal groups. The electron transport characteristics of the borazine and BCN molecular systems are analyzed through the transmission spectra and the current-voltage curve. The results demonstrate that the terminal groups modifying the transport behaviors of these systems in a controlled way. Our result shows that, selenium is the best linker to couple borazine to Au electrode and oxygen is the best one to couple BCN to Au electrode. Furthermore, the results of borazine systems are compared with that of BCN molecular systems and are discussed. Simulation results show that the conductance through BCN molecular systems is four times larger than the borazine molecular systems. Negative differential resistance behavior is observed with borazine-CN system and the saturation feature appears in BCN systems.