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The quantum transport theory, which dates back to the time of the Landauer theory in the field of mesoscopic physics, is now expanding its power on materials science and chemistry by earning chemical accuracy and physical reality and has become a new subject of non-equilibrium quantum transport theory for charge and heat at nanoscale. This growing subject invites cross-disciplinary developments, for example, the local heating theory developed earlier was examined and applied to the self-heating problem in the field of semiconductor- and nanoelectronic-device physics. This book compiles 25 key published papers to provide readers with convenient and comprehensive access to the important results and developments in the field. The book will appeal to a wide range of readers from varied backgrounds, especially those involved in charge- and/or heat-transport problems that widely spread over various subjects in materials science, chemistry, electric engineering, and condensed matter physics.
This reference text presents a conceptual framework for understanding room-temperature electron and phonon transport through molecules and other quantum objects. The flow of electricity through molecules is explained at the boundary of physics and chemistry, providing an authoritative introduction to molecular electronics for physicists, and quantum transport for chemists. Professor Lambert provides a pedagogical account of the fundamental concepts needed to understand quantum transport and thermoelectricity in molecular-scale and nanoscale structures. The material provides researchers and advanced students with an understanding of how quantum transport relates to other areas of materials modelling, condensed matter and computational chemistry. After reading the book, the reader will be familiar with the basic concepts of molecular-orbital theory and scattering theory, which underpin current theories of quantum transport.
Having earned chemical accuracy and physical reality, quantum transport theory, which dates back to the Landauer theory in the mesoscopic physics field, is expanding its power over material science and chemistry, forming a new subject of non-equilibrium quantum transport theory for charge and heat at the nanoscale. This growing subject invites cross-disciplinary developments: for example, the local heating theory developed there was examined and applied to the self-heating problem in the field of semiconductor and nanoelectronic device physics . Considering this, a reprint book compiling key important papers into a single comprehensive volume is convenient and comprehensive. In this volume, 25 papers are collected and compiled into 4 sections. A brief introduction given in each section will help readers with various backgrounds. The book will appeal to anyone involved in charge and/or heat transport problems that are widely spread over various subjects in material science, chemistry, electrical engineering, and condensed matter physics.
A comprehensive overview of the physical mechanisms that control electron transport and the characteristics of metal-molecule-metal (MMM) junctions. As far as possible, methods and formalisms presented elsewhere to analyze electron transport through molecules are avoided. This title introduces basic concepts--a description of the electron transport through molecular junctions—and briefly describes relevant experimental methods. Theoretical methods commonly used to analyze the electron transport through molecules are presented. Various effects that manifest in the electron transport through MMMs, as well as the basics of density-functional theory and its applications to electronic structure calculations in molecules are presented. Nanoelectronic applications of molecular junctions and similar systems are discussed as well. Molecular electronics is a diverse and rapidly growing field. Transport Properties of Molecular Junctions presents an up-to-date survey of the field suitable for researchers and professionals.
Modern electronic devices and novel materials often derive their extraordinary properties from the intriguing, complex behavior of large numbers of electrons forming what is known as an electron liquid. This book provides an in-depth introduction to the physics of the interacting electron liquid in a broad variety of systems, including metals, semiconductors, artificial nano-structures, atoms and molecules. One, two and three dimensional systems are treated separately and in parallel. Different phases of the electron liquid, from the Landau Fermi liquid to the Wigner crystal, from the Luttinger liquid to the quantum Hall liquid are extensively discussed. Both static and time-dependent density functional theory are presented in detail. Although the emphasis is on the development of the basic physical ideas and on a critical discussion of the most useful approximations, the formal derivation of the results is highly detailed and based on the simplest, most direct methods.
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 book provides a comprehensive overview of the rapidly developing field of molecular electronics. It focuses on our present understanding of the electrical conduction in single-molecule circuits and provides a thorough introduction to the experimental techniques and theoretical concepts. It will also constitute as the first textbook-like introduction to both the experiment and theory of electronic transport through single atoms and molecules. In this sense, this publication will prove invaluable to both researchers and students interested in the field of nanoelectronics and nanoscience in general.Molecular Electronics is self-contained and unified in its presentation. It may be used as a textbook on nanoelectronics by graduate students and advanced undergraduates studying physics and chemistry. In addition, included are previously unpublished material that will help researchers gain a deeper understanding into the basic concepts involved in the field of molecular electronics.
This book presents a multidisciplinary approach to single-molecule electronics. It includes a complete overview of the field, from the synthesis and design of molecular candidates to the prevalent experimental techniques, complemented by a detailed theoretical description. This all-inclusive strategy provides the reader with the much-needed perspective to fully understand the far-reaching ramifications of single-molecule electronics. In addition, a number of state-of-the-art topics are discussed, including single-molecule spectro-electrical methods, electrochemical DNA sequencing technology, and single-molecule chemical reactions. As a result of this integrative effort, this publication may be used as an introductory textbook to both graduate and advanced undergraduate students, as well as researchers with interests in single-molecule electronics, organic electronics, surface science, and nanoscience.
Advances in semiconductor technology have made possible the fabrication of structures whose dimensions are much smaller than the mean free path of an electron. This book gives a thorough account of the theory of electronic transport in such mesoscopic systems. After an initial chapter covering fundamental concepts, the transmission function formalism is presented, and used to describe three key topics in mesoscopic physics: the quantum Hall effect; localisation; and double-barrier tunnelling. Other sections include a discussion of optical analogies to mesoscopic phenomena, and the book concludes with a description of the non-equilibrium Green's function formalism and its relation to the transmission formalism. Complete with problems and solutions, the book will be of great interest to graduate students of mesoscopic physics and nanoelectronic device engineering, as well as to established researchers in these fields.
Time-dependent density functional theory (TDDFT) is based on a set of ideas and theorems quite distinct from those governing ground-state DFT, but emphasizing similar techniques. Today, the use of TDDFT is rapidly growing in many areas of physics, chemistry and materials sciences where direct solution of the Schrödinger equation is too demanding. This is the first comprehensive, textbook-style introduction to the relevant basics and techniques.