Transport In Multilayered Nanostructures The Dynamical Mean Field Theory Approach

This novel book is the first comprehensive text on dynamical mean-field theory (DMFT), which has emerged over the past two decades as one of the most powerful new developments in many-body physics. Written by one of the key researchers in the field, the volume develops the formalism of many-body Green's functions using the equation of motion approach, which requires an undergraduate solid state physics course and a graduate quantum mechanics course as prerequisites. The DMFT is applied to study transport in multilayered nanostructures, which is likely to be one of the most prominent applications of nanotechnology in the coming years. The text is modern in scope focusing on exact numerical methods rather than the perturbation theory. Formalism is developed first for the bulk and then for the inhomogeneous multilayered systems. The science behind the metal-insulator transition, electronic charge reconstruction, and superconductivity are thoroughly described. The book covers complete derivations and emphasizes how to carry out numerical calculations, including discussions of parallel programing algorithms. Detailed descriptions of the crossover from tunneling to thermally activated transport, of the properties of Josephson junctions with barriers tuned near the metal-insulator transition, and of thermoelectric coolers and power generators are provided as applications of the theory./a

​​This is the first book that provides a detailed summary of one of the most successful new condensed matter theories - dynamical mean-field theory (DMFT) - in both static and dynamical cases of systems of different sizes. DMFT is one of the most successful approaches to describe the physical properties of systems with strong electron-electron correlations such as bulk materials, multi-layers, surfaces, 2D materials and nanostructures in both metallic and insulating phases. Strongly correlated materials usually include partially-filled localized d- or f-orbitals, and DMFT takes into account crucial for these systems time-resolved interaction between electrons when they “meet” on one atom and occupy one of these orbitals. The First Part of the book covers the general formalism of DMFT as a many-body theory, followed by generalizations of the approach on the cases of finite systems and out-of-equilibrium regime. In the last Chapter of the First Part we discuss generalizations of the approach on the case when the non-local interactions are taken into account. The Second Part of the book covers methodologies of merging DMFT with ab initio static Density Functional Theory (DFT) and Time-Dependent DFT (TDDFT) approaches. Such combined DFT+DMFT and DMFT+TDDFT computational techniques allow one to include the effects of strong electron-electron correlations at the accurate ab initio level. These tools can be applied to complex multi-atom multi-orbital systems currently not accessible to DMFT. The book helps broad audiences of students and researchers from the theoretical and computational communities of condensed matter physics, material science, and chemistry to become familiar with this state-of-art approach and to use it for reaching a deeper understanding of the properties of strongly correlated systems and for synthesis of new technologically-important materials.

Thermoelectric devices could play an important role in making efficient use of our energy resources but their efficiency would need to be increased for their wide scale application. There is a multidisciplinary search for materials with an enhanced thermoelectric responses for use in such devices. This volume covers the latest ideas and developments in this research field, covering topics ranging from the fabrication and characterization of new materials, particularly those with strong electron correlation, use of nanostructured, layered materials and composites, through to theoretical work to gain a deeper understanding of thermoelectric behavior. It should be a useful guide and stimulus to all working in this very topical field.

This book sets out modern methods of computing properties of materials, including essential theoretical background, computational approaches, practical guidelines and instructive applications.

This book summarizes the current knowledge of two-dimensional oxide materials. The fundamental properties of 2-D oxide systems are explored in terms of atomic structure, electronic behavior and surface chemistry. The concept of polarity in determining the stability of 2-D oxide layers is examined, charge transfer effects in ultrathin oxide films are reviewed as well as the role of defects in 2-D oxide films. The novel structure concepts that apply in oxide systems of low dimensionality are addressed, and a chapter giving an overview of state-of-the-art theoretical methods for electronic structure determination of nanostructured oxides is included. Special emphasis is given to a balanced view from the experimental and the theoretical side. Two-dimensional materials, and 2-D oxides in particular, have outstanding behavior due to dimensionality and proximity effects. Several chapters treat prototypical model systems as illustrative examples to discuss the peculiar physical and chemical properties of 2-D oxide systems. The chapters are written by renowned experts in the field.

This book is aimed at senior undergraduates, graduate students and researchers interested in quantitative understanding and modeling of nanomaterial and device physics. With the rapid slow-down of semiconductor scaling that drove information technology for decades, there is a pressing need to understand and model electron flow at its fundamental molecular limits. The purpose of this book is to enable such a deconstruction needed to design the next generation memory, logic, sensor and communication elements. Through numerous case studies and topical examples relating to emerging technology, this book connects 'top down' classical device physics taught in electrical engineering classes with 'bottom up' quantum and many-body transport physics taught in physics and chemistry. The book assumes no more than a nodding acquaintance with quantum mechanics, in addition to knowledge of freshman level mathematics. Segments of this book are useful as a textbook for a course in nano-electronics.