Proceedings of the NATO Advanced Research Workshop on Electron Transport in Nanosystems Yalta, Ukraine 17-21 September 2007

This book is an introduction to a rapidly developing field of modern theoretical physics – the theory of quantum transport at nanoscale. The theoretical methods considered in the book are in the basis of our understanding of charge, spin and heat transport in nanostructures and nanostructured materials and are widely used in nanoelectronics, molecular electronics, spin-dependent electronics (spintronics) and bio-electronics. The book is based on lectures for graduate and post-graduate students at the University of Regensburg and the Technische Universität Dresden (TU Dresden). The first part is devoted to the basic concepts of quantum transport: Landauer-Büttiker method and matrix Green function formalism for coherent transport, Tunneling (Transfer) Hamiltonian and master equation methods for tunneling, Coulomb blockade, vibrons and polarons. The results in this part are obtained as possible without sophisticated techniques, such as nonequilibrium Green functions, which are considered in detail in the second part. A general introduction into the nonequilibrium Green function theory is given. The approach based on the equation-of-motion technique, as well as more sophisticated one based on the Dyson-Keldysh diagrammatic technique are presented. The main attention is paid to the theoretical methods able to describe the nonequilibrium (at finite voltage) electron transport through interacting nanosystems, specifically the correlation effects due to electron-electron and electron-vibron interactions.

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

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.

The articles collected in this book cover a wide range of materials with extraordinary superconducting and magnetic properties. For many of the materials studied, strong electronic correlations provide a link between these two phenomena which were long thought to be highly antagonistic. The book reports both the progress in our understanding of fundamental physical processes and the advances made towards the development of devices.

This book presents generalized heat-conduction laws which, from a mesoscopic perspective, are relevant to new applications (especially in nanoscale heat transfer, nanoscale thermoelectric phenomena, and in diffusive-to-ballistic regime) and at the same time keep up with the pace of current microscopic research. The equations presented in the book are compatible with generalized formulations of nonequilibrium thermodynamics, going beyond the local-equilibrium. The book includes six main chapters, together with a preface and a final section devoted to the future perspectives, as well as an extensive bibliography.

The discovery of new materials and the manipulation of their exotic properties for device fabrication is crucial for advancing technology. Nanoscience, and the creation of nanomaterials have taken materials science and electronics to new heights for the benefit of mankind. Advanced Materials and Nanosystems: Theory and Experiment covers several topics of nanoscience research. The compiled chapters aim to update readers by highlighting modern developments in materials science theory and experiments. The significant role of new materials in future technology is also demonstrated. The book serves as a reference for curriculum development in technical institutions and research programs in the field of physics, chemistry and applied areas of science like materials science, chemical engineering and electronics. This part covers 11 topics in these areas: 1- Role of Plasmonic Metal-semiconductor Heterostructure in Photo Catalytic Hydrolysis and Degradation of Toxic Dyes 2 -BaZrO3-Based Ceramics and Ceramic Composites as Smart Materials for Advanced Applications 3 -A High-capacity Anode Material for Lithium-ion Batteries is Sili-graphene Type SiC3 4 -An Introduction to the Fabrication of White Light-emitting Diodes 5 -Electronic and Piezoelectric Properties of Nonmetal Doped II-VI Monolayer Compounds 6- A Theoretical Investigation on the New Quaternary MAX-phase Compounds 7- Surface Segregation in Pt 3 Nb and Pt 3 Ti using Density Functional-based Methods. 8- Nanoparticles and Environmental Health 9 -Investigation for Optimum site for adsorption and population effect of Lithium on Silicene Monolayer 10- Strategies for Synthesizing Metal Oxide Nanoparticles and the Challenges 11- Heterogeneous Semiconductor Photocatalysis for Water Purification: Basic Mechanism and Advanced Strategies.