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This book addresses the mathematical aspects of semiconductor modeling, with particular attention focused on the drift-diffusion model. The aim is to provide a rigorous basis for those models which are actually employed in practice, and to analyze the approximation properties of discretization procedures. The book is intended for applied and computational mathematicians, and for mathematically literate engineers, who wish to gain an understanding of the mathematical framework that is pertinent to device modeling. The latter audience will welcome the introduction of hydrodynamic and energy transport models in Chap. 3. Solutions of the nonlinear steady-state systems are analyzed as the fixed points of a mapping T, or better, a family of such mappings, distinguished by system decoupling. Significant attention is paid to questions related to the mathematical properties of this mapping, termed the Gummel map. Compu tational aspects of this fixed point mapping for analysis of discretizations are discussed as well. We present a novel nonlinear approximation theory, termed the Kras nosel'skii operator calculus, which we develop in Chap. 6 as an appropriate extension of the Babuska-Aziz inf-sup linear saddle point theory. It is shown in Chap. 5 how this applies to the semiconductor model. We also present in Chap. 4 a thorough study of various realizations of the Gummel map, which includes non-uniformly elliptic systems and variational inequalities. In Chap.
This book addresses the mathematical aspects of semiconductor modeling, with particular attention focused on the drift-diffusion model. The aim is to provide a rigorous basis for those models which are actually employed in practice, and to analyze the approximation properties of discretization procedures. The book is intended for applied and computational mathematicians, and for mathematically literate engineers, who wish to gain an understanding of the mathematical framework that is pertinent to device modeling. The latter audience will welcome the introduction of hydrodynamic and energy transport models in Chap. 3. Solutions of the nonlinear steady-state systems are analyzed as the fixed points of a mapping T, or better, a family of such mappings, distinguished by system decoupling. Significant attention is paid to questions related to the mathematical properties of this mapping, termed the Gummel map. Compu tational aspects of this fixed point mapping for analysis of discretizations are discussed as well. We present a novel nonlinear approximation theory, termed the Kras nosel'skii operator calculus, which we develop in Chap. 6 as an appropriate extension of the Babuska-Aziz inf-sup linear saddle point theory. It is shown in Chap. 5 how this applies to the semiconductor model. We also present in Chap. 4 a thorough study of various realizations of the Gummel map, which includes non-uniformly elliptic systems and variational inequalities. In Chap.
A review of recent advancements in colloidal nanocrystals and quantum-confined nanostructures, Nanocrystal Quantum Dots is the second edition of Semiconductor and Metal Nanocrystals: Synthesis and Electronic and Optical Properties, originally published in 2003. This new title reflects the book’s altered focus on semiconductor nanocrystals. Gathering contributions from leading researchers, this book contains new chapters on carrier multiplication (generation of multiexcitons by single photons), doping of semiconductor nanocrystals, and applications of nanocrystals in biology. Other updates include: New insights regarding the underlying mechanisms supporting colloidal nanocrystal growth A revised general overview of multiexciton phenomena, including spectral and dynamical signatures of multiexcitons in transient absorption and photoluminescence Analysis of nanocrystal-specific features of multiexciton recombination A review of the status of new field of carrier multiplication Expanded coverage of theory, covering the regime of high-charge densities New results on quantum dots of lead chalcogenides, with a focus studies of carrier multiplication and the latest results regarding Schottky junction solar cells Presents useful examples to illustrate applications of nanocrystals in biological labeling, imaging, and diagnostics The book also includes a review of recent progress made in biological applications of colloidal nanocrystals, as well as a comparative analysis of the advantages and limitations of techniques for preparing biocompatible quantum dots. The authors summarize the latest developments in the synthesis and understanding of magnetically doped semiconductor nanocrystals, and they present a detailed discussion of issues related to the synthesis, magneto-optics, and photoluminescence of doped colloidal nanocrystals as well. A valuable addition to the pantheon of literature in the field of nanoscience, this book presents pioneering research from experts whose work has led to the numerous advances of the past several years.
This book provides comprehensive, state-of-the art coverage of photorefractive organic compounds, a class of material with the ability to change their index of refraction upon illumination. The change is both dynamic and reversible. Dynamic because no external processing is required for the index modulation to be revealed, and reversible because the index change can be modified or suppressed by altering the illumination pattern. These properties make photorefractive materials very attractive candidates for many applications such as image restoration, correlation, beam conjugation, non-destructive testing, data storage, imaging through scattering media, holographic imaging and display. The field of photorefractive organic material is also closely related to organic photovoltaic and light emitting diode (OLED), which makes new discoveries in one field applicable to others.
The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community. Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts University; Richard Catlow, Royal Institution; Long-Qing Chen, Pennsylvania State University; William Curtin, Brown University; Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory; Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi State University; Efthimios Kaxiras, Harvard University; L. Mahadevan, Harvard University; Dimitrios Maroudas, University of Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of California Santa Barbara; Gregory C. Rutledge, MIT; David J. Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter Wolf, Argonne National Laboratory.
This work examines all aspects of organic conductors, detailing recent theoretical concepts and current laboratory methods of synthesis, measurement, control and analysis. It describes advances in molecular-scale engineering, including switching and memory systems, Schottky and electroluminescent diodes, field-effect transistors, and photovoltaic devices and solar cells.
This book covers recent advances of the fragment molecular orbital (FMO) method, consisting of 5 parts and a total of 30 chapters written by FMO experts. The FMO method is a promising way to calculate large-scale molecular systems such as proteins in a quantum mechanical framework. The highly efficient parallelism deserves being considered the principal advantage of FMO calculations. Additionally, the FMO method can be employed as an analysis tool by using the inter-fragment (pairwise) interaction energies, among others, and this feature has been utilized well in biophysical and pharmaceutical chemistry. In recent years, the methodological developments of FMO have been remarkable, and both reliability and applicability have been enhanced, in particular, for non-bio problems. The current trend of the parallel computing facility is of the many-core type, and adaptation to modern computer environments has been explored as well. In this book, a historical review of FMO and comparison to other methods are provided in Part I (two chapters) and major FMO programs (GAMESS-US, ABINIT-MP, PAICS and OpenFMO) are described in Part II (four chapters). dedicated to pharmaceutical activities (twelve chapters). A variety of new applications with methodological breakthroughs are introduced in Part IV (six chapters). Finally, computer and information science-oriented topics including massively parallel computation and machine learning are addressed in Part V (six chapters). Many color figures and illustrations are included. Readers can refer to this book in its entirety as a practical textbook of the FMO method or read only the chapters of greatest interest to them.
In recent years the mathematical modeling of charge transport in semi conductors has become a thriving area in applied mathematics. The drift diffusion equations, which constitute the most popular model for the simula tion of the electrical behavior of semiconductor devices, are by now mathe matically quite well understood. As a consequence numerical methods have been developed, which allow for reasonably efficient computer simulations in many cases of practical relevance. Nowadays, research on the drift diffu sion model is of a highly specialized nature. It concentrates on the explora tion of possibly more efficient discretization methods (e.g. mixed finite elements, streamline diffusion), on the improvement of the performance of nonlinear iteration and linear equation solvers, and on three dimensional applications. The ongoing miniaturization of semiconductor devices has prompted a shift of the focus of the modeling research lately, since the drift diffusion model does not account well for charge transport in ultra integrated devices. Extensions of the drift diffusion model (so called hydrodynamic models) are under investigation for the modeling of hot electron effects in submicron MOS-transistors, and supercomputer technology has made it possible to employ kinetic models (semiclassical Boltzmann-Poisson and Wigner Poisson equations) for the simulation of certain highly integrated devices.
This book presents the conceptual framework underlying the atomistic theory of matter, emphasizing those aspects that relate to current flow. This includes some of the most advanced concepts of non-equilibrium quantum statistical mechanics. No prior acquaintance with quantum mechanics is assumed. Chapter 1 provides a description of quantum transport in elementary terms accessible to a beginner. The book then works its way from hydrogen to nanostructures, with extensive coverage of current flow. The final chapter summarizes the equations for quantum transport with illustrative examples showing how conductors evolve from the atomic to the ohmic regime as they get larger. Many numerical examples are used to provide concrete illustrations and the corresponding Matlab codes can be downloaded from the web. Videostreamed lectures, keyed to specific sections of the book, are also available through the web. This book is primarily aimed at senior and graduate students.
This volume presents a systematic and mathematically accurate description and derivation of transport equations in solid state physics, in particular semiconductor devices.