This is the only book to cover the most recent developments in applied quantum theory and their use in modeling materials properties. It describes new approaches to modeling disordered alloys and focuses on those approaches that combine the most efficient quantum-level theories of random alloys with the most sophisticated numerical techniques. In doing so, it establishes a theoretical insight into the electronic structure of complex materials such as stainless steels, Hume-Rothery alloys and silicates.

If you need a book that relates the core principles of quantum mechanics to modern applications in engineering, physics, and nanotechnology, this is it. Students will appreciate the book's applied emphasis, which illustrates theoretical concepts with examples of nanostructured materials, optics, and semiconductor devices. The many worked examples and more than 160 homework problems help students to problem solve and to practise applications of theory. Without assuming a prior knowledge of high-level physics or classical mechanics, the text introduces Schrödinger's equation, operators, and approximation methods. Systems, including the hydrogen atom and crystalline materials, are analyzed in detail. More advanced subjects, such as density matrices, quantum optics, and quantum information, are also covered. Practical applications and algorithms for the computational analysis of simple structures make this an ideal introduction to quantum mechanics for students of engineering, physics, nanotechnology, and other disciplines. Additional resources available from www.cambridge.org/9780521897839.

Quantum Mechanics: An Introduction for Device Physicists and Electrical Engineers, Third Edition provides a complete course in quantum mechanics for students of semiconductor device physics and electrical engineering. It provides the necessary background to quantum theory for those starting work on micro- and nanoelectronic structures and is particularly useful for those beginning work with modern semiconductors devices, lasers, and qubits. This book was developed from a course the author has taught for many years with a style and order of presentation of material specifically designed for this audience. It introduces the main concepts of quantum mechanics which are important in everyday solid-state physics and electronics. Each topic includes examples which have been carefully chosen to draw upon relevant experimental research. It also includes problems with solutions to test understanding of theory. Full updated throughout, the third edition contains the latest developments, experiments, and device concepts, in addition to three fully revised chapters on operators and expectations and spin angular momentum, it contains completely new material on superconducting devices and approaches to quantum computing.

Der Autor dieses Lehrbuchs ist seit über 25 Jahren Dozent für Quantenmechanik in den Fachrichtungen Elektrotechnik und Informatik. Das Fachbuch ist wissenschaftlich fundiert und gut geschrieben, überzeugt durch eine ausgewogene Darstellung notwendiger formaler Mathematik und Text. Die Einführung fasst die Grundkonzepte der klassischen Physik zusammen und stellt einiger ihrer Versäumnisse heraus, die sich aus Phänomenen in Verbindung mit der Lichttechnik ergeben. Diese werden in den darauffolgenden drei Kapiteln ausführlich analysiert. Kapitel 5 geht über das Dualitätsprinzip hinaus und erläutert die Partikelkonzepte der Quantenmechanik sowie deren Folgen für die Elektrotechnik. In den Kapiteln 6 bis 8 werden die mathematischen Grundkonstruktionen beschrieben, mit denen sich der Zustand von Partikeln und deren Eigenschaften ableiten und vorhersagen lassen. Die beiden weiteren Kapitel zeigen zwei Beispiele hierfür mit Anwendungen von LEDs, Infrarotdetektoren, Quantenkaskadenlasern, Zener-Dioden und Flash-Speichern. In den letzten Kapiteln werden die Folgen der Quantenmechanik für die chemischen Eigenschaften von Atomen und anderen, aus vielen Elektronen bestehenden Systemen erörtert, abgerundet durch einen kurzen Einblick in die möglichen Hardwarekomponenten für die Quanteninformationsverarbeitung. Zu den vielfältigen didaktischen Merkmalen gehören auch Lernziele, Kapitelzusammenfassungen, Fragen zur Selbstüberprüfung sowie Problemlösungen. In den beiden Anhängen sind die notwendigen Kenntnisse der klassischen Physik und Mathematik zusammengefasst.

This book covers the essentials of Computational Science and gives tools and techniques to solve materials science problems using molecular dynamics (MD) and first-principles methods. The new edition expands upon the density functional theory (DFT) and how the original DFT has advanced to a more accurate level by GGA+U and hybrid-functional methods. It offers 14 new worked examples in the LAMMPS, Quantum Espresso, VASP and MedeA-VASP programs, including computation of stress-strain behavior of Si-CNT composite, mean-squared displacement (MSD) of ZrO2-Y2O3, band structure and phonon spectra of silicon, and Mo-S battery system. It discusses methods once considered too expensive but that are now cost-effective. New examples also include various post-processed results using VESTA, VMD, VTST, and MedeA.

An accessible overview of the concepts and tools essential to the physics of materials, with applications, exercises, and color figures.

Emphasising essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behaviour. All the key topics are covered from electronic structure methods to microstructural evolution, appendices provide crucial background material, and a wealth of practical resources are available online to complete the teaching package. Modelling is examined at a broad range of scales, from the atomic to the mesoscale, providing students with a solid foundation for future study and research. Detailed, accessible explanations of the fundamental equations underpinning materials modelling are presented, including a full chapter summarising essential mathematical background. Extensive appendices, including essential background on classical and quantum mechanics, electrostatics, statistical thermodynamics and linear elasticity, provide the background necessary to fully engage with the fundamentals of computational modelling. Exercises, worked examples, computer codes and discussions of practical implementations methods are all provided online giving students the hands-on experience they need.

A Festschrift in honor of Professor Marvin L. Cohen This volume is a Festschrift in honor of Professor Marvin L. Cohen. The articles, contributed by leading researchers in condensed matter physics, high-light recent advances in the use of quantum theory to explain and predict properties of real materials. The invention of quantum mechanics in the 1920's provided detailed descriptions of the electronic structure of atoms. However, a similar understanding of solids has been achieved only in the past 30 years, owing to the complex electron-ion and electron electron interactions in these systems. Professor Cohen is a central figure in this achievement. His development of the pseudopotential and total energy methods provided an alternate route using computers for the exploration of solids and new materials even when they have not yet been synthesized. Professor Cohen's contributions to materials theory have been both fundamental and encompassing. The corpus of his work consists of over 500 papers and a textbook. His band structures for semiconductors are used worldwide by researchers in solid state physics and chemistry and by device engineers. Professor Cohen's own use of his theories has resulted in the determination of the electronic structure, optical properties, structural and vibrational properties, and superconducting properties of numerous condensed matter systems including semiconductors, metals, surfaces, interfaces, defects in solids, clusters, and novel materials such as the fullerides and nanotubes.

Computational Mechanics of Composite Materials lays stress on the advantages of combining theoretical advancements in applied mathematics and mechanics with the probabilistic approach to experimental data in meeting the practical needs of engineers. Features: Programs for the probabilistic homogenisation of composite structures with finite numbers of components allow composites to be treated as homogeneous materials with simpler behaviours. Treatment of defects in the interfaces within heterogeneous materials and those arising in composite objects as a whole by stochastic modelling. New models for the reliability of composite structures. Novel numerical algorithms for effective Monte-Carlo simulation. Computational Mechanics of Composite Materials will be of interest to academic and practising civil, mechanical, electronic and aerospatial engineers, to materials scientists and to applied mathematicians requiring accurate and usable models of the behaviour of composite materials.