Atomistic Simulation Of Quantum Transport In Nanoelectronic Devices

Computational nanoelectronics is an emerging multi-disciplinary field covering condensed matter physics, applied mathematics, computer science, and electronic engineering. In recent decades, a few state-of-the-art software packages have been developed to carry out first-principle atomistic device simulations. Nevertheless those packages are either black boxes (commercial codes) or accessible only to very limited users (private research codes). The purpose of this book is to open one of the commercial black boxes, and to demonstrate the complete procedure from theoretical derivation, to numerical implementation, all the way to device simulation. Meanwhile the affiliated source code constitutes an open platform for new researchers. This is the first book of its kind. We hope the book will make a modest contribution to the field of computational nanoelectronics. Contents:IntroductionThe NECPA TheoryThe NECPA-LMTO MethodNanoDsim: The Package DesignNanoDsim: Bulk SystemsNanoDsim: Two-Probe SystemsNanoDsim: Optimization and ParallelizationKaleidoscope of the Physics in Disordered SystemsAppendix Readership: Post-graduate students or professional researchers who are interested in computational physics, device physics, quantum transport, disorder systems, and overlap of the above.

"Computational nanoelectronics is an emerging multi-disciplinary field covering condensed matter physics, applied mathematics, computer science, and electronic engineering. In recent decades, a few state-of-the-art software packages have been developed to carry out first-principle atomistic device simulations. Nevertheless those packages are either black boxes (commercial codes) or accessible only to very limited users (private research codes). The purpose of this book is to open one of the commercial black boxes, and to demonstrate the complete procedure from theoretical derivation, to numerical implementation, all the way to device simulation. Meanwhile the affiliated source code constitutes an open platform for new researchers. This is the first book of its kind. We hope the book will make a modest contribution to the field of computational nanoelectronics"--

This book surveys the advanced simulation methods needed for proper modeling of state-of-the-art nanoscale devices. It systematically describes theoretical approaches and the numerical solutions that are used in explaining the operation of both power devices as well as nano-scale devices. It clearly explains for what types of devices a particular method is suitable, which is the most critical point that a researcher faces and has to decide upon when modeling semiconductor devices.

The emergence of nanoelectronics has led us to renew the concepts of transport theory used in semiconductor device physics and the engineering community. It has become crucial to question the traditional semi-classical view of charge carrier transport and to adequately take into account the wave-like nature of electrons by considering not only their coherent evolution but also the out-of-equilibrium states and the scattering effects. This book gives an overview of the quantum transport approaches for nanodevices and focuses on the Wigner formalism. It details the implementation of a particle-based Monte Carlo solution of the Wigner transport equation and how the technique is applied to typical devices exhibiting quantum phenomena, such as the resonant tunnelling diode, the ultra-short silicon MOSFET and the carbon nanotube transistor. In the final part, decoherence theory is used to explain the emergence of the semi-classical transport in nanodevices.

This Springer Handbook comprehensively covers the topic of semiconductor devices, embracing all aspects from theoretical background to fabrication, modeling, and applications. Nearly 100 leading scientists from industry and academia were selected to write the handbook's chapters, which were conceived for professionals and practitioners, material scientists, physicists and electrical engineers working at universities, industrial R&D, and manufacturers. Starting from the description of the relevant technological aspects and fabrication steps, the handbook proceeds with a section fully devoted to the main conventional semiconductor devices like, e.g., bipolar transistors and MOS capacitors and transistors, used in the production of the standard integrated circuits, and the corresponding physical models. In the subsequent chapters, the scaling issues of the semiconductor-device technology are addressed, followed by the description of novel concept-based semiconductor devices. The last section illustrates the numerical simulation methods ranging from the fabrication processes to the device performances. Each chapter is self-contained, and refers to related topics treated in other chapters when necessary, so that the reader interested in a specific subject can easily identify a personal reading path through the vast contents of the handbook.

As electric devices become smaller and smaller, transport simulations based on the quantum mechanics become more and more important. There are currently numerous textbooks on the basic concepts of quantum transport, but few present calculation methods in detail. This book provides various quantum transport simulation methods and shows applications for transport properties of nanometer-scale systems. It starts with a short review of quantum transport, followed by various calculation methods based on scattering approaches, non-equilibrium Green’s function (NEGF), master equation, and time-dependent wave-packet diffusion (TD-WPD). With these tools, transport properties of various nanosystems are then explored.

While theories based on classical physics have been very successful in helping experimentalists design microelectronic devices, new approaches based on quantum mechanics are required to accurately model nanoscale transistors and to predict their characteristics even before they are fabricated. Advanced Nanoelectronics provides research information on advanced nanoelectronics concepts, with a focus on modeling and simulation. Featuring contributions by researchers actively engaged in nanoelectronics research, it develops and applies analytical formulations to investigate nanoscale devices. The book begins by introducing the basic ideas related to quantum theory that are needed to better understand nanoscale structures found in nanoelectronics, including graphenes, carbon nanotubes, and quantum wells, dots, and wires. It goes on to highlight some of the key concepts required to understand nanotransistors. These concepts are then applied to the carbon nanotube field effect transistor (CNTFET). Several chapters cover graphene, an unzipped form of CNT that is the recently discovered allotrope of carbon that has gained a tremendous amount of scientific and technological interest. The book discusses the development of the graphene nanoribbon field effect transistor (GNRFET) and its use as a possible replacement to overcome the CNT chirality challenge. It also examines silicon nanowire (SiNW) as a new candidate for achieving the downscaling of devices. The text describes the modeling and fabrication of SiNW, including a new top-down fabrication technique. Strained technology, which changes the properties of device materials rather than changing the device geometry, is also discussed. The book ends with a look at the technical and economic challenges that face the commercialization of nanoelectronics and what universities, industries, and government can do to lower the barriers. A useful resource for professionals, researchers, and scientists, this work brings together state-of-the-art technical and scientific information on important topics in advanced nanoelectronics.