Computational Electronics Semiclassical and Quantum
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LanguageEnglish
Pages784
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Computational Electronics Semiclassical and Quantum



Computational Electronics Semiclassical and Quantum Device Modeling and Simulation by Dragica Vasileska, Stephen M. Goodnick, and Gerhard Klimeck | PDF Free Download.

Authors of Computational Electronics Semiclassical and Quantum


Dragica Vasileska received her BSEE (diploma) and MSEE from the University Sts. Cyril and Methodius, Skopje, Republic of Macedonia, in 1985 and 1992, respectively, and her Ph.D. from Arizona State University, Tempe, in 1995.

From 1995 to 1997, she held a faculty research associate position within the Center of Solid State Electronics Research at Arizona State University. In the fall of 1997, she joined the faculty of electrical engineering at Arizona State University.

In 2002, she was promoted to associate professor and in 2007 to full professor. Her research interests include semiconductor device physics and semiconductor device modeling, with a strong emphasis on quantum transport and Monte Carlo particle-based simulations.

She is a senior member of the Institute of Electrical and Electronics Engineering (IEEE) and American Physical Society (APS).

Dr. Vasileska has published more than 140 journal publications, over 80 conference proceedings refereed papers, has given numerous invited talks, and is a co-author of a book on computational electronics with Professor S.M. Goodnick. She has many awards including the best student award from the School of Electrical Engineering in Skopje since its existence (1985, 1990).

She is also a recipient of the 1998 NSF CAREER Award. Her students won the best paper and the best poster award at the Low Dimensional Structures and Devices (LDSD) conference in Cancun, 2004. 

Stephen M. Goodnick received his BS in engineering science from Trinity University, San Antonio, Texas, in 1977, and his MS and Ph.D. in electrical engineering from Colorado State University, Fort Collins, in 1979 and 1983, respectively.

He was an Alexander von Humboldt Fellow with the Technical University of Munich, Germany, and the University of Modena, Italy, in 1985 and 1986, respectively.

He was a faculty member from 1986 to 1997 with the Department of Electrical and Computer Engineering at Oregon State University, Corvallis, and served as chair and professor of electrical engineering with Arizona State University, Tempe, from 1996 to 2005.

He served as deputy dean for the Ira A. Fulton School of Engineering, Tempe, Arizona, during 2005– 2006, and as associate vice president for research for Arizona State University from 2006 to 2008.

He is currently the director of the Arizona Initiative for Renewable Energy and the Arizona Institute for Nanoelectronics, Tempe, Arizona. His main research interests are in transport in semiconductor devices, computational electronics, quantum, and nanostructured devices and device technology, and high-frequency and optical devices.

Some of his main contributions include the analysis of surface roughness at the Si=SiO2 interface, Monte Carlo simulation of ultrafast carrier relaxation in quantum confined systems, global modeling of high-frequency devices, full-band simulation of semiconductor devices, transport in nanostructures, and fabrication and characterization of nanoscale semiconductor devices.

He has published over 185 refereed journal articles, books, and book chapters and is a fellow of the IEEE (2004).

Gerhard Klimeck is the director of the Network for Computational Nanotechnology (NCN), West Lafayette, Indiana, and a professor of electrical and computer engineering at Purdue University, West Lafayette, Indiana.

He guides the developments and strategies of nanoHUB.org, which served over 89,000 users worldwide with on-line simulation, tutorials, and seminars in the year 2008.

He served as NCN technical director from 2003 to May 2009. He was the technical group supervisor of the High-Performance Computing Group and a principal scientist at the NASA Jet Propulsion Laboratory (JPL), Pasadena, California, from 1998 to 2003.

Prior to this, he was a member of the technical staff at the Central Research Lab of Texas Instruments, Dallas, where he served as a manager and principal architect of the Nanoelectronic Modeling (NEMO 1D) program.

NEMO 1D was the first quantitative simulation tool for resonant tunneling diodes and 1D heterostructures. At JPL and Purdue, Gerhard developed the Nanoelectronic Modeling tool (NEMO 3D) for multimillion atom electronic structure simulations.

NEMO 3D has been used to quantitatively model optical properties of self-assembled quantum dots, disordered Si=SiGe systems, and single impurities in silicon.

At Purdue, his group is developing a new simulation engine that combines the NEMO 1D and NEMO 3D capabilities into a new code entitled OMEN. OMEN has demonstrated almost perfect scaling to over 200,000 parallel cores.

Professor Klimeck’s research interest is in the modeling of nanoelectronic devices, parallel computing, and genetic algorithms.

He received his Ph.D. (on quantum transport) in 1994 from Purdue University and his German electrical engineering degree in 1990 from Ruhr-University Bochum, Germany.

Dr. Klimeck’s work is documented in over 130 peer-reviewed journals, 120 proceedings publications, and over 120 invited and 270 contributed conference presentations and has been cited over 2500 times. He is a senior member of the IEEE and a member of APS, Eta Kappa Nu (HKN), and Tau Beta Pi (TBP).

Computational Electronics Contents


  • Introduction to Computational Electronics
  •  Introductory Concepts
  • Semiclassical Transport Theory
  • The Drift-Diffusion Equations and Their Numerical Solution
  • Hydrodynamic Modeling
  • Particle-Based Device Simulation Methods 
  • Modeling Thermal Effects in Nano-Devices
  • Quantum Corrections to Semiclassical Approaches
  • Quantum Transport in Semiconductor Systems
  • Far-From-Equilibrium Quantum Transport
  • Conclusions

Preface to Computational Electronics Semiclassical and Quantum


The purpose of this book is to introduce interested scientists from academia and industry to advanced simulation methods needed for modeling state-of-the-art nanoscale devices.

The book also serves as a textbook for two graduate-level modeling classes: one devoted to semiclassical transport modeling and the second dedicated completely to quantum transport modeling.

This book provides an overview of the basic techniques used in the field of computational electronics related to devising simulation.

The multiple scale transport in semiconductors is summarized in Figure 1 in terms of the transport regimes, the relative importance of the scattering mechanisms, length scales such as critical device lengths L, electron wavelength l, electron-electron scattering length lee, electron-phonon scattering length le-ph, and possible applications.

We believe that this book has been written at the right time, namely, during an era when the transistor is reaching its limits, and when new device designs and paradigms of device operation are being explored.

In the first half of the book, we cover semiclassical methods for semiconductor device modeling; we begin with the simple drift-diffusion model and then provide a description of the hydrodynamic and energy balance transport.

We conclude the semiclassical transport modeling with a comprehensive discussion on particle-based device simulation methods. In addition to focusing on the theory, equal emphasis is placed on the numerical solution approach used for the particular methods that are described.

For example, when talking about the drift-diffusion model and its derivation from the Boltzmann transport equation, we also discuss the Sharfetter–Gummel discretization scheme that relaxes some constraints on the mesh size and leads to improved convergence of either the Gummel or the Newton method used for solving the coupled set of Poisson and current continuity equations.

This is what distinguishes this book from other texts in the literature that are focused only on the theoretical aspect of semiconductor transport.

Implementation is necessary for computer device designs, and this is exactly what this book provides to the readers: a comprehensive overview of methods for analyzing transport in semiconductor devices, beginning from the simplest semiclassical approaches and ending with a description of the most complex, fully quantum mechanical methods for quantum transport analysis of novel state-of-the-art devices.

The second half of the book begins with a discussion highlighting the need for quantum transport, the description of various quantum effects appearing in current and future devices that are either being mass-produced or fabricated as a proof of concept.

In this context, we introduce the concept of effective potential used to approximately including quantum mechanical space-quantization effects within the semiclassical particle-based device simulation scheme.

Moving into the next chapter, where we talk about open quantum systems, we introduce tunneling as a purely quantum mechanical concept and we discuss ways of calculating the tunneling coefficient for arbitrary piecewise constants and piecewise linear potential barriers.

The Landauer–Buttiker formula for the calculation of the conductance is introduced next as a way of studying quantum mechanical systems in a linear-response (near-equilibrium) regime of operation.

The next chapter is dedicated to far-from-equilibrium quantum transport. Several methods, with different levels of complexities and accuracies, are explained in detail when solving the far-from-equilibrium quantum transport problem, including the Wigner function and Green’s function methods.

Since the emphasis in this book is on Green’s function method for solving the quantum transport problem, we describe in detail the recursive Green’s function method and its variant, the Usuki method.

Then we describe the contact block reduction method as the most efficient and most complete way of solving the quantum transport problem since this method allows one to simultaneously calculate source-drain current and gate leakage, which is not the case, for example, with the Usuki and the recursive Green’s function techniques that are in fact quasi-1D in nature for transport through a device.

We summarize this book with some open questions related to quantum transport that was not previously covered here. Many people have contributed either directly or indirectly to make this book a reality.

The authors would first like to thank Professor David K. Ferry for the many valuable discussions that they have had with him in the course of the preparation of the material for this book and before.

Many thanks go to Professor Dieter Schroder who has been an inspiration to Professor Dragica Vasileska not only at the professional level but on a personal level as well.

Professor Christian Ringhofer has been a very valuable resource when developing most of the codes that have been implemented at Arizona State University and for the generalization of the effective potential scheme.

Other people who have had a significant impact on the research presented in this book include Dr. Denis Mamaluy; Dr. Jason Ayobi-Moak (contributed Appendix C—Computational Electromagnetics);

Professors Mark Lundstrom and Supriyo Datta from Purdue University, West Lafayette, Indiana; and many others from the Center for Solid State Electronics Research at Arizona State University, Tempe.

Dr. Jean Michel Sellier, Dr. Mathieu Luisier, Samarth Agarwal, and Abhijeet Paul helped at Purdue to shape some of the nanoHUB.org tools that have been used in this book.

Professor Vasileska wants to take this opportunity to thank her parents, Antigona and Zdravko Vasileski, for supporting her and being with her always, most importantly in difficult times.

She would also like to thank her niece, Emili Vasileska, and her nephew, Zdravko Vasileski, for all their love. Professor Goodnick thanks the invaluable support and patience of Sara for many late nights involved in the writing and proofing of this text.

Professor Gerhard Klimeck thanks his family, Ginny, George, and Gabrielle, for the love, support, patience, and acceptance during the times of intense work.

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