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A new multiscale method is presented for modeling charge transport across a semi-conductor heterointerface. It has the advantage of increase predictive power due to its treatment of the detailed mixing between Bloch and Tamm electronic states in the interface region; this is of critical importance when a transmission or reflection is accompanied by large changes in perpendicular wavevector, and in the presence of multiple transmission and reflection channels. The electron-phonon interaction is then examined in bulk silicon within the local density functional formalism. Intravalley and intervalley deformation potentials are calculated for a variety of transitions, and the model is compared with available data from both experimental and alternative calculation methods. The formalism developed in this thesis for the calculation of electron-phonon interaction strength is then applied to the calculation of matrix elements for an exhaustive set of transitions throughout the entire Brillouin zone and over a wide range of energies, taking into account the details of each phonon mode. These matrix elements are then incorporated into a unique Monte Carlo charge transport simulator with which transport statistics are calculated. Finally, a new method is presented for the calculation of spectral functions in crystalline solids.
Recent advances in the fabrication of semiconductors have created almost un limited possibilities to design structures on a nanometre scale with extraordinary electronic and optoelectronic properties. The theoretical understanding of elec trical transport in such nanostructures is of utmost importance for future device applications. This represents a challenging issue of today's basic research since it requires advanced theoretical techniques to cope with the quantum limit of charge transport, ultrafast carrier dynamics and strongly nonlinear high-field ef fects. This book, which appears in the electronic materials series, presents an over view of the theoretical background and recent developments in the theory of electrical transport in semiconductor nanostructures. It contains 11 chapters which are written by experts in their fields. Starting with a tutorial introduction to the subject in Chapter 1, it proceeds to present different approaches to transport theory. The semiclassical Boltzmann transport equation is in the centre of the next three chapters. Hydrodynamic moment equations (Chapter 2), Monte Carlo techniques (Chapter 3) and the cellular au tomaton approach (Chapter 4) are introduced and illustrated with applications to nanometre structures and device simulation. A full quantum-transport theory covering the Kubo formalism and nonequilibrium Green's functions (Chapter 5) as well as the density matrix theory (Chapter 6) is then presented.
Particle simulation of semiconductor devices is a rather new field which has started to catch the interest of the world's scientific community. It represents a time-continuous solution of Boltzmann's transport equation, or its quantum mechanical equivalent, and the field equation, without encountering the usual numerical problems associated with the direct solution. The technique is based on first physical principles by following in detail the transport histories of indi vidual particles and gives a profound insight into the physics of semiconductor devices. The method can be applied to devices of any geometrical complexity and material composition. It yields an accurate description of the device, which is not limited by the assumptions made behind the alternative drift diffusion and hydrodynamic models, which represent approximate solutions to the transport equation. While the development of the particle modelling technique has been hampered in the past by the cost of computer time, today this should not be held against using a method which gives a profound physical insight into individual devices and can be used to predict the properties of devices not yet manufactured. Employed in this way it can save the developer much time and large sums of money, both important considerations for the laboratory which wants to keep abreast of the field of device research. Applying it to al ready existing electronic components may lead to novel ideas for their improvement. The Monte Carlo particle simulation technique is applicable to microelectronic components of any arbitrary shape and complexity.
This volume presents the application of the Monte Carlo method to the simulation of semiconductor devices, reviewing the physics of transport in semiconductors, followed by an introduction to the physics of semiconductor devices.
Under certain conditions electrons in a semiconductor become much hotter than the surrounding crystal lattice. When this happens, Ohm's Law breaks down: current no longer increases linearly with voltage and may even decrease. Hot electrons have long been a challenging problem in condensed matter physics and remain important in semiconductor research. Recent advances in technology have led to semiconductors with submicron dimensions, where electrons can be confined to two (quantum well), one (quantum wire), or zero (quantum dot) dimensions. In these devices small voltages heat electrons rapidly, inducing complex nonlinear behavior; the study of hot electrons is central to their further development. This book is the only comprehensive and up-to-date coverage of hot electrons. Intended for both established researchers and graduate students, it gives a complete account of the historical development of the subject, together with current research and future trends, and covers the physics of hot electrons in bulk and low-dimensional device technology. The contributions are from leading scientists in the field and are grouped broadly into five categories: introduction and overview; hot electron-phonon interactions and ultra-fast phenomena in bulk and two-dimensional structures; hot electrons in quantum wires and dots; hot electron tunneling and transport in superlattices; and novel devices based on hot electron transport.
This book offers, from both a theoretical and a computational perspective, an analysis of macroscopic mathematical models for description of charge transport in electronic devices, in particular in the presence of confining effects, such as in the double gate MOSFET. The models are derived from the semiclassical Boltzmann equation by means of the moment method and are closed by resorting to the maximum entropy principle. In the case of confinement, electrons are treated as waves in the confining direction by solving a one-dimensional Schrödinger equation obtaining subbands, while the longitudinal transport of subband electrons is described semiclassically. Limiting energy-transport and drift-diffusion models are also obtained by using suitable scaling procedures. An entire chapter in the book is dedicated to a promising new material like graphene. The models appear to be sound and sufficiently accurate for systematic use in computer-aided design simulators for complex electron devices. The book is addressed to applied mathematicians, physicists, and electronic engineers. It is written for graduate or PhD readers but the opening chapter contains a modicum of semiconductor physics, making it self-consistent and useful also for undergraduate students.
Thin film organic semiconductors have applications in electronic devices such as transistors, light emitting diodes, and organic solar cells. The performance of such devices depends on the mobility of the charge carriers which is strongly affected by the morphology of the material. In this work, we perform Monte Carlo simulations to study charge transport in lattice models of homogeneous and heterogeneous materials. The model device consists of a layer of the material between two electrodes at different potentials. Charge carriers are injected from the electrodes and move by hopping under the influence of the electric field and Coulomb interactions. To model the effect of polymer chain connectivity on charge transport we include an energetic barrier to hopping between sites on different chains. We measure current-voltage (I-V) characteristics of model devices and determine the mobility of the charge carriers from the slope of the I-V curves in the ohmic regime. We validate our algorithms with simulations of simple devices consisting of two parallel layers of donor and acceptor materials between the electrodes. To study the effect of ordered domains in polymeric semiconductors we simulate charge transport in a recently developed lattice model for polymers that undergo an order-disorder transition. We find that ordering in the material leads to strong anisotropies with increased mobility for transport parallel to the ordered domains and reduced mobility for perpendicular transport.
SISDEP ’95 provides an international forum for the presentation of state-of-the-art research and development results in the area of numerical process and device simulation. Continuously shrinking device dimensions, the use of new materials, and advanced processing steps in the manufacturing of semiconductor devices require new and improved software. The trend towards increasing complexity in structures and process technology demands advanced models describing all basic effects and sophisticated two and three dimensional tools for almost arbitrarily designed geometries. The book contains the latest results obtained by scientists from more than 20 countries on process simulation and modeling, simulation of process equipment, device modeling and simulation of novel devices, power semiconductors, and sensors, on device simulation and parameter extraction for circuit models, practical application of simulation, numerical methods, and software.
In the field of organic semiconductors researchers and manufacturers are faced with a wide range of potential molecules. This work presents concepts for simulation-based predictions of material characteristics starting from chemical stuctures. The focus lies on charge transport – be it in microscopic models of amorphous morphologies, lattice models or large-scale device models. An extensive introductory review, which also includes experimental techniques, makes this work interesting for a broad readership. Contents: Organic Semiconductor Devices Experimental Techniques Charge Dynamics at Dierent Scales Computational Methods Energetics and Dispersive Transport Correlated Energetic Landscapes Microscopic, Stochastic and Device Simulations Parametrization of Lattice Models Drift–Diusion with Microscopic Link
This book examines some of the charge carrier transport issues encountered in the field of modern semiconductor devices and novel materials. Theoretical approaches to the understanding and modeling of the relevant physical phenomena, seen in devices that have very small spatial dimensions and that operate under high electric field strength, are described in papers written by leading experts and pioneers in this field. In addition, the book examines the transport physics encountered in novel materials such as wide band gap semiconductors (GaN, SiC, etc.) as well as organic semiconductors. Topics in High Field Transport in Semiconductors provides a comprehensive overview that will be beneficial to newcomers as well as engineers and researchers engaged in this exciting field.