Monte Carlo study of current variability in UTB SOI DG MOSFETs

The scaling of conventional silicon based MOSFETs is increasingly difficult into the nanometer regime due to short channel effects, tunneling and subthreshold leakage current. Ultra-thin body silicon-on-insulator based architectures offer a promising alternative, alleviating these problems through their geometry. However, the transport behaviour in these devices is more complex, especially for silicon thicknesses below 10 nm, with enhancement from band splitting and volume inversion competing with scattering from phonons, Coulomb interactions, interface roughness and body thickness fluctuation. Here, the effect of the last scattering mechanism on the drive current is examined as it is considered a significant limitation to device performance for body thicknesses below 5 nm. A simulation technique that properly captures non-equilibrium transport, includes quantum effects and maintains computational efficiency is essential for the study of this scattering mechanism. Therefore, a 3D Monte Carlo simulator has been developed which includes this scattering effect in an ab initio fashion, and quantum corrections using the Density Gradient formalism. Monte Carlo simulations using `frozen field' approximation have been carried out to examine the dependence of mobility on silicon thickness in large, self averaging devices. This approximation is then used to carry out statistical studies of uniquely different devices to examine the variability of on-current. Finally, Monte Carlo simulations self consistent with Poisson's equation have been carried out to further investigate this mechanism

Transport models and advanced numerical simulation of silicon-germanium heterojunction bipolar transistors

Applications in the emerging high-frequency markets for millimeter wave applications more and more use SiGe components for cost reasons. To support the technology effort, a reliable TCAD platform is required. The main issue in the simulation of scaled devices is related to the limitations of the physical models used to describe charge carrier transport. Inherent approximations in the HD formalism are discussed over different technology nodes, providing for the first time a complete survey of HD models capability and restrictions with scaling for simulation of SiGe HBTs. Moreover, a complete set of models for transport parameters of SiGe HBTs is reported, including low-field mobility, energy relaxation time, saturation velocity, high-field mobility and effective density of state. Implementation in a commercial device simulator is drawn and findings are compared with simulation results obtained using a standard set of models and with trustworthy results (i.e. MC and SHE simulation results and experimental data), validating proposed models and clarifying their reliability and accuracy over different technologies. Finally, electrical breakdown phenomena in SiGe HBTs are analyzed: a novel complete model for multiplication factor is reported and validated by experimental results; new M model provides an exhaustive accuracy over a wide range of collector voltages

Impact Ionization and Hot-Electron Injection Derived Consistently from Boltzmann Transport

We develop a quantitative model of the impact-ionizationand hot-electron–injection processes in MOS devices from first principles. We begin by modeling hot-electron transport in the drain-to-channel depletion region using the spatially varying Boltzmann transport equation, and we analytically find a self consistent distribution function in a two step process. From the electron distribution function, we calculate the probabilities of impact ionization and hot-electron injection as functions of channel current, drain voltage, and floating-gate voltage. We compare our analytical model results to measurements in long-channel devices. The model simultaneously fits both the hot-electron- injection and impact-ionization data. These analytical results yield an energydependent impact-ionization collision rate that is consistent with numerically calculated collision rates reported in the literature

ATK-ForceField: A New Generation Molecular Dynamics Software Package

ATK-ForceField is a software package for atomistic simulations using classical interatomic potentials. It is implemented as a part of the Atomistix ToolKit (ATK), which is a Python programming environment that makes it easy to create and analyze both standard and highly customized simulations. This paper will focus on the atomic interaction potentials, molecular dynamics, and geometry optimization features of the software, however, many more advanced modeling features are available. The implementation details of these algorithms and their computational performance will be shown. We present three illustrative examples of the types of calculations that are possible with ATK-ForceField: modeling thermal transport properties in a silicon germanium crystal, vapor deposition of selenium molecules on a selenium surface, and a simulation of creep in a copper polycrystal.Comment: 28 pages, 9 figure

Advanced numerical modeling of semiconductor material properties and their device performances

With the renewed concept of "Materials by Design" attracting particular attentions from the engineering communities in recent years, numerical methods that can reliably predict the optical and electrical properties of materials is highly preferable. Since the growth or the synthesis of a "designed" material and the ensuing devices is usually prohibitively expensive and time-consuming, numerical simulation tools that predict the properties of a proposed material together with its device performance before production is especially important and cost-effective. Furthermore, as the technology advances, semiconductor devices have been pushed to operate at their material limits, which requires a thorough understanding of the materials' microscopic processes under different conditions. Therefore, developing numerical models that are capable of investigating the semiconductor properties from material level to device level is highly desirable. This dissertation develops a suite of numerical models in which optical absorption and Auger recombination in semiconductor materials are studied and simulated together with their device performances. In particular, Green's function theory with full band structures is employed to investigate the material properties by evaluating the broadening of the electronic bands under the perturbation of phonons. As a result, both direct and phonon-assisted indirect processes are computed and compared among different materials. Drift-diffusion model and a 3D Monte-Carlo model are subsequently used to simulate the device characteristics with the obtained material parameters. This work first determines the full band structures for Si, Ge, α-Sn, HgCdTe, InAsSb and InGaAs alloys from EPM model, and then investigated the materials' minority carrier lifetime for IR detector applications. Finally device level simulations using drift-diffusion and 3D Monte-Carlo models are demonstrated. In particular, two issues of developing 3D Monte-Carlo device simulation models, namely the use of unstructured spatial meshes and elimination of particle-mesh forces, are discussed, which are crucial in simulating modern semiconductor devices having complex geometry and doping profiles

3D drift diffusion and 3D Monte Carlo simulation of on-current variability due to random dopants

In this work Random Discrete Dopant induced on-current variations have been studied using the Glasgow 3D atomistic drift/diffusion simulator and Monte Carlo simulations. A methodology for incorporating quantum corrections into self-consistent atomistic Monte Carlo simulations via the density gradient effective potential is presented. Quantum corrections based on the density gradient formalism are used to simultaneously capture quantum confinement effects. The quantum corrections not only capture charge confinement effects, but accurately represent the electron impurity interaction used in previous \textit{ab initio} atomistic MC simulations, showing agreement with bulk mobility simulation. The effect of quantum corrected transport variation in statistical atomistic MC simulation is then investigated using a series of realistic scaled devices nMOSFETs transistors with channel lengths 35 nm, 25 nm, 18nm, 13 nm and 9 nm. Such simulations result in an increased drain current variability when compared with drift diffusion simulation. The comprehensive statistical analysis of drain current variations is presented separately for each scaled transistor. The investigation has shown increased current variation compared with quantum corrected drift diffusion simulation and with previous classical MC results. Furthermore, it has been studied consistently the impact of transport variability due to scattering from random discrete dopants on the on-current variability in realistic nano CMOS transistors. For the first time, a hierarchic simulation strategy to accurately transfer the increased on-current variability obtained from the ‘ab initio’ MC simulations to DD simulations is subsequently presented. The MC corrected DD simulations are used to produce target $I_D-V_G$ characteristics from which statistical compact models are extracted for use in preliminary design kits at the early stage of new technology development. The impact of transport variability on the accuracy of delay simulation are investigated in detail. Accurate compact models extraction methodology transferring results from accurate physical variability simulation into statistical compact models suitable for statistical circuit simulation is presented. In order to examine te size of this effect on circuits Monte Carlo SPICE simulations of inverter were carried out for 100 samples

Modeling structural and electronic properties of nano-scale systems

Computergestütze Modellierung von organischen elektronsichen Materialien durch gezielte Untersuchung mikroskopischer Prozesse und Berechnung molekülspezifischer Materialparameter ermöglicht die effiziente Entwicklung langlebiger, effizienter Bauteile. In dieser Arbeit werden die strukturellen und elektronischen Eigenschaften organischer und metall-organischer Schichten untersucht, sowie effiziente Simulationsmethoden (weiter-)entwickelt

A Multicarrier Technique for Monte Carlo Simulation of Electrothermal Transport in Nanoelectronics

The field of microelectronics plays an important role in many areas of engineering and science, being ubiquitous in aerospace, industrial manufacturing, biotechnology, and many other fields. Today, many micro- and nanoscale electronic devices are integrated into one package. e capacity to simulate new devices accurately is critical to the engineering design process, as device engineers use simulations to predict performance characteristics and identify potential issues before fabrication. A problem of particular interest is the simulation of devices which exhibit exotic behaviors due to non-equilibrium thermodynamics and thermal effects such as self-heating. Frequently, it is desirable to predict the level of heat generation, the maximum temperature and its location, and the impact of these thermal effects on the current-voltage (IV) characteristic of a device. is problem is furthermore complicated by nanoscale device dimensions. As the ratio of surface area to volume increases, boundary effects tend to dominate the transfer of energy through a device. Effects such as quantum confinement begin to play a role for nanoscale devices as geometric feature sizes approach the wavelength of the particles involved. Classical approaches to charge transport and heat transfer simulation such as the drift-diffusion approach and Fourier’s law, respectively, do not provide accurate results at these length scales. Instead, the transport processes are governed by the semi-classical Boltzmann transport equation (BTE) with quantum corrections derived from the Schrodinger equation ̈ (SE). In this work, a technique is presented for coupling a 3D phonon Monte Carlo (MC) simulation to an electron multi-subband Monte Carlo (MSBMC) simulation. Both carrier species are first examined separately. An electron MC simulation of bulk silicon, a silicon n-i-n diode, and an intrinsic-channel fin-field effect transistor (FinFET) structure are also presented. A 3D phonon MC algorithm is demonstrated in bulk silicon, a silicon thin film, and a silicon nanoconstriction. These tests verify the correctness of the MC framework. Finally, a novel carrier scattering system which directly accounts for the interaction be- tween the two particle populations inside a nanoscale device is shown. e tool developed supports quantum size effects and is shown to be capable of modeling the exchange of energy between thermal and electronic particle systems in a silicon FinFET

Monte-Carlo simulations of Gunn diodes and hot-phonon effects in bulk semiconductors

This thesis uses Monte Carlo simulations to investigate electron transport in GaAs, its ternary In0.₅₃Ga₀.₄₇As and GaN. Ensemble Monte Carlo methods are used to determine the effects of a non-equilibrium phonon distribution on the transport properties of bulk In₀.₅₃Ga₀.₄₇As. Hot phonons are shown to reduce the critical field, peak velocity and saturation velocity. The dominant hot phonon effects in In₀.₅₃Ga₀.₄₇As are shown to be diffusive heating and phonon re-absorption. Evidence of the phonon drag effect is not found.A notched GaAs Gunn diode originally modelled by J. Tully in 1983 [1] is then recreated with a finer mesh and more superparticles. The device is shown to operate in accumulation mode with a considerable ‘dead zone’. The model is shown to be consistent with the original to a reasonable estimate considering the uncertainty surrounding material parameters. Significantly less noise is present demonstrating the increased precision offered by a Monte Carlo model with an increased resolution.Characteristics of GaN Gunn diodes are then explored. Results are presented for a device operating in accumulation mode with an operating frequency of 164 GHz. Results are then presented for a device operating in dipole mode with an operating frequency of 119 GHz. The mechanisms surrounding the function of these devices are analysed and shown to be consistent with the literature.Finally, a proof of concept 2-dimensional device simulator is validated through comparison with an equivalent 1-dimensional device. While equivalency is proven a number of obstacles are highlighted surrounding computational efficiency and optimum simulation parameters