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Nonequilibrium Quantum Transport Physics in Nanosystems: Foundation of Computational Nonequilibrium Physics in Nanoscience and Nanotechnology

F. A. Buot

Published Apr 1, 2009• 6 citations
Publisher

Abstract

This book presents the first comprehensive treatment of discrete phase-space quantum mechanics and the lattice Weyl-Wigner formulation of energy band dynamics, by the originator of these theoretical techniques. The author's quantum superfield theoretical formulation of nonequilibrium quantum physics is given in real time, without the awkward use of artificial time contour employed in previous formulations. These two main quantum theoretical techniques combine to yield general (including quasiparticle-pairing dynamics) and exact quantum transport equations in phase-space, appropriate for nanodevices. The derivation of transport formulas in mesoscopic physics from the general quantum transport equations is also treated. Pioneering nanodevices are discussed in the light of the quantum-transport physics equations, and an in-depth treatment of the physics of resonant tunneling devices is given. Operator Hilbert-space methods and quantum tomography are discussed. Discrete phase-space quantum mechanics on finite fields is treated for completeness and by virtue of its relevance to quantum computing. The phenomenological treatment of evolution superoperator and measurements is given to help clarify the general quantum transport theory. Quantum computing and information theory is covered to demonstrate the foundational aspects of discrete quantum dynamics, particularly in deriving a complete set of multiparticle entangled basis states

DOI
10.1142/6042#t=toc

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This book presents the first comprehensive treatment of discrete phase-space quantum mechanics and the lattice Weyl-Wigner formulation of energy band dynamics, by the originator of these theoretical techniques. The author's quantum superfield theoretical formulation of nonequilibrium quantum physics is given in real time, without the awkward use of artificial time contour employed in previous formulations. These two main quantum theoretical techniques combine to yield general (including quasiparticle-pairing dynamics) and exact quantum transport equations in phase-space, appropriate for nanodevices. The derivation of transport formulas in mesoscopic physics from the general quantum transport equations is also treated. Pioneering nanodevices are discussed in the light of the quantum-transport physics equations, and an in-depth treatment of the physics of resonant tunneling devices is given. Operator Hilbert-space methods and quantum tomography are discussed. Discrete phase-space quantum mechanics on finite fields is treated for completeness and by virtue of its relevance to quantum computing. The phenomenological treatment of evolution superoperator and measurements is given to help clarify the general quantum transport theory. Quantum computing and information theory is covered to demonstrate the foundational aspects of discrete quantum dynamics, particularly in deriving a complete set of multiparticle entangled basis states
Questions about the route from a nonequilibrium initial state to the final global equilibrium have played an important role since the early days of phenomenological thermodynamics and statistical mechanics. Nowadays, their implications reach from central technical devices of the contemporary human society, like heat engines, refrigerators and computers to recent physics at almost all length scales, from Bose-Einstein-condensation and superconductors to black holes. This work addresses the foundation of macroscopic laws concerning the decay to equilibrium, e.g. the celebrated Fourier's Law, on microscopic Schrödingerian quantum dynamics. Here, a proper treatment requires the usage of modern methods in theoretical physics such as the Theory of Open Quantum Systems, the Kubo Formula in Liouville Space and the novel Hilbert Space Average Method. It turns out that both the relaxation to equilibrium as well as the transport of heat is mainly determined by quantum effects comparable to the role of entanglement in considerations of the global equilibrium within Quantum Thermodynamics. Finally, the foundation of phenomenological thermodynamics on a microscopic theory will hopefully improve our understanding of those most impressive and far-reaching theories and their background and will possibly open the way to overcoming their nanoscopic limits.
Abstract This book treats the central physical concepts and mathematical techniques used to investigate the dynamics of open quantum systems. To provide a self-contained presentation, the text begins with a survey of classical probability theory and with an introduction to the foundations of quantum mechanics, with particular emphasis on its statistical interpretation and on the formulation of generalized measurement theory through quantum operations and effects. The fundamentals of density matrix theory, quantum Markov processes, and completely positive dynamical semigroups are developed. The most important master equations used in quantum optics and condensed matter theory are derived and applied to the study of many examples. Special attention is paid to the Markovian and non-Markovian theory of environment induced decoherence, its role in the dynamical description of the measurement process, and to the experimental observation of decohering electromagnetic field states. The book includes the modern formulation of open quantum systems in terms of stochastic processes in Hilbert space. Stochastic wave function methods and Monte Carlo algorithms are designed and applied to important examples from quantum optics and atomic physics. The fundamentals of the treatment of non-Markovian quantum processes in open systems are developed on the basis of various mathematical techniques, such as projection superoperator methods and influence functional techniques. In addition, the book expounds the relativistic theory of quantum measurements and the density matrix theory of relativistic quantum electrodynamics.
Many-body theory stands at the foundation of modern quantum statistical mechanics. It is introduced here to graduate students in physics, chemistry, engineering and biology. The book provides a contemporary understanding of irreversibility, particularly in quantum systems. It explains entropy production in quantum kinetic theory and in the master equation formulation of non-equilibrium statistical mechanics. The first half of the book focuses on the foundations of non-equilibrium statistical mechanics with emphasis on quantum mechanics. The second half of the book contains alternative views of quantum statistical mechanics, and topics of current interest for advanced graduate level study and research. Unique to textbooks on this subject, this book contains a discussion of the fundamental Gleason theorem. Quantum entanglements are treated in application to quantum computation and the difficulties arising from decoherence. The relativistic generalization of the Boltzmann equation is derived, and modern transport applications to reservoir ballistic transport are developed.
This textbook provides ample opportunities for practice and real experimental demonstrations. Conceptual understanding and mastering key techniques are enhanced by rigorous derivations, numerous worked examples, more than 300 exercises, about 150 problems and 16 computer codes. The preface summarizes all of the key concepts and formulas, along with a detailed schedule for teaching. The first three chapters introduce the quantum idea, wave-particle duality, operators and measurement. The Noether theorem is invoked to introduce the Schrödinger equation, followed by applications to infinite and finite quantum wells, quantum tunneling, harmonic oscillators, Heisenberg equation of motion, uncertainty principle, blackbody radiation and photoelectric effect. Chapters 4 and 5 are on angular momentum, the hydrogen atom and time-independent approximate methods. Chapters 6 and 7 are on spin and time-dependent perturbation theory. Chapters 8, 9 and 10 are on molecular orbitals, energy bands, quantum transport, scanning tunneling microscopy, lattice vibrations, Berry phase and quantum computing. The book is intended for a one-semester or one-year course and is also appropriate for researchers in related fields.
Quantum mechanics forms the foundation of all modern physics, including atomic, nuclear, and molecular physics, the physics of the elementary particles, condensed matter physics. Modern astrophysics also relies heavily on quantum mechanics. Quantum theory is needed to understand the basis for new materials, new devices, the nature of light coming from stars, the laws which govern the atomic nucleus, and the physics of biological systems. As a result the subject of this book is a required course for most physics graduate students. While there are many books on the subject, this book targets specifically graduate students and it is written with modern advances in various fields in mind. Many examples treated in the various chapters as well as the emphasis of the presentation in the book are designed from the perspective of such problems. For example, the book begins by putting the Schrodinger equation on a spatial discrete lattice and the continuum limit is also discussed, inspired by Hamiltonian lattice gauge theories. The latter and advances in quantum simulations motivated the inclusion of the path integral formulation. This formulation is applied to the imaginary-time evolution operator to project the exact ground state of the harmonic oscillator as is done in quantum simulations. As an example of how to take advantage of symmetry in quantum mechanics, one-dimensional periodic potentials are discussed, inspired by condensed matter physics. Atoms and molecules are discussed within mean-field like treatment (Hartree-Fock) and how to go beyond it. Motivated by the recent intense activity in condensed matter and atomic physics to study the Hubbard model, the electron correlations in the hydrogen molecule are taken into account by solving the two-site Hubbard model analytically. Using the canonical Hamiltonian quantization of quantum electrodynamics, the photons emerge as the quanta of the normal modes, in the same way as the phonons emerge in the treatment of the normal modes of the coupled array of atoms. This is used later to treat the interaction of radiation with atomic matter.
In the last two decades there has been an enormous progress in the experimental investigation of single quantum systems. This progress covers fields such as quantum optics, quantum computation, quantum cryptography, and quantum metrology, which are sometimes summarized as `quantum technologies'. A key issue there is entanglement, which can be considered as the characteristic feature of quantum theory. As disparate as these various fields maybe, they all have to deal with a quantum mechanical treatment of the measurement process and, in particular, the control process. Quantum control is, according to the authors, `control for which the design requires knowledge of quantum mechanics'. Quantum control situations in which measurements occur at important steps are called feedback (or feedforward) control of quantum systems and play a central role here. This book presents a comprehensive and accessible treatment of the theoretical tools that are needed to cope with these situations. It also provides the reader with the necessary background information about the experimental developments. The authors are both experts in this field to which they have made significant contributions. After an introduction to quantum measurement theory and a chapter on quantum parameter estimation, the central topic of open quantum systems is treated at some length. This chapter includes a derivation of master equations, the discussion of the Lindblad form, and decoherence – the irreversible emergence of classical properties through interaction with the environment. A separate chapter is devoted to the description of open systems by the method of quantum trajectories. Two chapters then deal with the central topic of quantum feedback control, while the last chapter gives a concise introduction to one of the central applications – quantum information. All sections contain a bunch of exercises which serve as a useful tool in learning the material. Especially helpful are also various separate boxes presenting important background material on topics such as the block representation or the feedback gain-bandwidth relation. The two appendices on quantum mechanics and phase-space and on stochastic differential equations serve the same purpose. As the authors emphasize, the book is aimed at physicists as well as control engineers who are already familiar with quantum mechanics. It takes an operational approach and presents all the material that is needed to follow research on quantum technologies. On the other hand, conceptual issues such as the relevance of the measurement process for the interpretation of quantum theory are neglected. Readers interested in them may wish to consult instead a textbook such as Decoherence and the Quantum-to-Classical Transition by Maximilian Schlosshauer. Although the present book does not contain applications to gravity, part of its content might become relevant for the physics of gravitational-wave detection and quantum gravity phenomenology. In this respect it should be of interest also for the readers of this journal.