Electronic Density of States


Book Description




Electronic Density Functional Theory


Book Description

This book is an outcome of the International Workshop on Electronic Density Functional Theory, held at Griffith University in Brisbane, Australia, in July 1996. Density functional theory, standing as it does at the boundary between the disciplines of physics, chemistry, and materials science, is a great mixer. Invited experts from North America, Europe, and Australia mingled with students from several disciplines, rapidly taking up the informal style for which Australia is famous. A list of participants is given at the end of the book. Density functional theory (DFT) is a subtle approach to the very difficult problem of predicting the behavior of many interacting particles. A major application is the study of many-electron systems. This was the workshop theme, embracing inter alia computational chemistry and condensed matter physics. DFT circumvents the more conceptually straightforward (but more computationally intensive) approach in which one solves the many-body Schrodinger equation. It relies instead on rather delicate considerations involving the electron number density. For many years the pioneering work of Kohn and Sham (the Local Density Ap proximation of 1965 and immediate extensions) represented the state of the art in DFT. This approach was widely used for its appealing simplicity and computability, but gave rather modest accuracy. In the last few years there has been a renaissance of interest, quite largely due to the remarkable success of the new generation of gradient functionals whose initiators include invitees to the workshop (Perdew, Parr, Yang).




Thermoelectrics


Book Description

Thermoelectrics: Design and Materials HoSung Lee, Western Michigan University, USA A comprehensive guide to the basic principles of thermoelectrics Thermoelectrics plays an important role in energy conversion and electronic temperature control. The book comprehensively covers the basic physical principles of thermoelectrics as well as recent developments and design strategies of materials and devices. The book is divided into two sections: the first section is concerned with design and begins with an introduction to the fast developing and multidisciplinary field of thermoelectrics. This section also covers thermoelectric generators and coolers (refrigerators) before examining optimal design with dimensional analysis. A number of applications are considered, including solar thermoelectric generators, thermoelectric air conditioners and refrigerators, thermoelectric coolers for electronic devices, thermoelectric compact heat exchangers, and biomedical thermoelectric energy harvesting systems. The second section focuses on materials, and covers the physics of electrons and phonons, theoretical modeling of thermoelectric transport properties, thermoelectric materials, and nanostructures. Key features: Provides an introduction to a fast developing and interdisciplinary field. Includes detailed, fundamental theories. Offers a platform for advanced study. Thermoelectrics: Design and Materials is a comprehensive reference ideal for engineering students, as well as researchers and practitioners working in thermodynamics. Cover designed by Yujin Lee




Elementary Solid State Physics


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The Physics of Semiconductors


Book Description

Modern fabrication techniques have made it possible to produce semiconductor devices whose dimensions are so small that quantum mechanical effects dominate their behavior. This book describes the key elements of quantum mechanics, statistical mechanics, and solid-state physics that are necessary in understanding these modern semiconductor devices. The author begins with a review of elementary quantum mechanics, and then describes more advanced topics, such as multiple quantum wells. He then disusses equilibrium and nonequilibrium statistical mechanics. Following this introduction, he provides a thorough treatment of solid-state physics, covering electron motion in periodic potentials, electron-phonon interaction, and recombination processes. The final four chapters deal exclusively with real devices, such as semiconductor lasers, photodiodes, flat panel displays, and MOSFETs. The book contains many homework exercises and is suitable as a textbook for electrical engineering, materials science, or physics students taking courses in solid-state device physics. It will also be a valuable reference for practising engineers in optoelectronics and related areas.




Electron Density and Bonding in Crystals


Book Description

Electron Density and Bonding in Crystals: Principles, Theory and X-Ray Diffraction Experiments in Solid State Physics and Chemistry provides a comprehensive, unified account of the use of diffraction techniques to determine the distribution of electrons in crystals. The book discusses theoretical and practical techniques, the application of electron density studies to chemical bonding, and the determination of the physical properties of condensed matter. The book features the authors' own key contributions to the subject as well a thorough, critical summary of the extensive literature on electron density and bonding. Logically organized, coverage ranges from the theoretical and experimental basis of electron density determination to its impact on investigations of the nature of the chemical bond and its uses in determining electromagnetic and optical properties of crystals. The main text is supplemented by appendices that provide clear, concise guidance on aspects such as systems of units, quantum theory of atomic vibrations, atomic orbitals, and creation and annihilation operators. The result is a valuable compendium of modern knowledge on electron density distributions, making this reference a standard for crystallographers, condensed matter physicists, theoretical chemists, and materials scientists.




Introduction to the Physics of Silicene and other 2D Materials


Book Description

This concise book offers an essential introduction and reference guide for the many newcomers to the field of physics of elemental 2D materials. Silicene and related materials are currently among the most actively studied materials, especially following the first experimental synthesis on substrates in 2012. Accordingly, this primer introduces and reviews the most crucial developments regarding silicene from both theoretical and experimental perspectives. At the same time the reader is guided through the extensive body of relevant foundational literature. The text starts with a brief history of silicene, followed by a comparison of the bonding nature in silicon versus carbon atoms. Here, a simple but robust framework is established to help the reader follow the concepts presented throughout the book. The book then presents the atomic and electronic structure of free-standing silicene, followed by an account of the experimental realization of silicene on substrates. This topic is subsequently developed further to discuss various reconstructions that silicene acquires due to interactions with the substrate and how such effects are mirrored in the electronic properties. Next the book examines the dumbbell structure that is the key to understanding the growth mechanism and atomic structure of multilayer silicene. Last but not least, it addresses similar effects in other elemental 2D materials from group IV (germanene, stanane), group V (phosphorene) and group III (borophene), as well as transition metal dichalcogenides and other compositions, so as to provide a general comparative overview of their electronic properties.




Solids and Surfaces


Book Description

Dieses einzigartige Buch läßt Chemie und Physik im festen Zustand und auf Oberflächen 'zusammentreffen'. In einer lebhaften und anschaulichen Weise bringt es Chemikern die Sprache bei, mit der sie die Elektronenstruktur ausgedehnter Systeme verstehen lernen können. Gleichzeitig zeigt es, wie auch von Seiten der Chemie Modelle über den festen Zustand sowie über Bindungen und Reaktivität von Oberflächen erstellt werden können. Das Buch bedient sich zunächst der Sprache von Kristallorbitalen, Bandstrukturen und Zustandsdichten. Danach stellt es die Werkzeuge bereit, mit denen der Leser weg von den stark delokalisierten Orbitalen des Festkörpers gelangt, darunter der Zerfall von Zustandsdichten und die Population von Kristallorbital-Overlaps. Mit diesen Werkzeugen schafft es der Autor, detaillierte quantenmechanische Berechnungen mit der chemischen Betrachtungsweise mit Grenzorbitalen zu verknüpfen. Die beschriebenen Anwendungen umfassen eine allgemeine Vorstellung der Chemisorption, Bindungsbildung und -zerfall im festen Zustand, Bindungen im Metall, die Elektronenstruktur ausgewählter leitender und supraleitender Verbindungen sowie die für die Deformation ausgedehnter Systeme verantwortlichen Kräfte.




Electronic Structure and the Properties of Solids


Book Description

This text offers basic understanding of the electronic structure of covalent and ionic solids, simple metals, transition metals and their compounds; also explains how to calculate dielectric, conducting, bonding properties.