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Quantum Chemistry of Solids
Quantum Chemistry of Solids delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of periodic systems. The first part describes the basic theory underlying the LCAO methods applied to periodic systems and the use of Hartree-Fock(HF), Density Function theory(DFT) and hybrid Hamiltonians. The translation and site symmetry consideration is included to establish connection between k-space solid –state physics and real-space quantum chemistry. The inclusion of electron correlation effects for periodic systems is considered on the basis of localized crystalline orbitals. The possibilities of LCAO meth...
Theoretical Modeling of Inorganic Nanostructures
This book summarizes the state of the art in the theoretical modeling of inorganic nanostructures. Extending the first edition, published in 2015, it presents applications to new nanostructured materials and theoretical explanations of recently discovered optical and thermodynamic properties of known nanomaterials. It discusses the developments in theoretical modeling of nanostructures, describing fundamental approaches such as symmetry analysis and applied calculation methods. The book also examines the theoretical aspects of many thermodynamic and the optical properties of nanostructures. The new edition includes additional descriptions of the theoretical modeling of nanostructures in novel materials such as the V2O5 binary oxide, ZnS, CdS, MoSSe and SnS2.
Nanodevices and Nanomaterials for Ecological Security
This book is devoted to a wide range of problems concerning applications of nanomaterials and nanodevices as effective solutions to modern ecological problems. Leading experts in nanoscience and nanotechnology present the key theoretical, experimental and implementation issues related to the creation and utilization of novel nanoscale devices to help ensure ecological security. The authors discuss appropriate nanotechnologies for minimizing various types of risk: to human life, technogenic risk, or indeed terrorist threats. Particular emphasis is placed on defining and studying the required materials properties, and – in the field – on nanoscale devices for sensors and monitoring.
Compound Semiconductors 1996, Proceedings of the Twenty-Third INT Symposium on Compound Semiconductors held in St Petersburg, Russia, 23-27 September 1996
Providing a comprehensive overview of developments to both the academic and industrial communities, Compound Semiconductors 1996 covers all types of compound semiconducting materials and devices. The book includes results on blue and green lasers, heterostructure devices, nanoelectronics, and novel wide band gap semiconductors. With invited review papers and research results in current topics of interest, this volume is part of a well-known series of conferences for the dissemination of research results in the field.
High Performance Computing in Science and Engineering ́15
This book presents the state-of-the-art in supercomputer simulation. It includes the latest findings from leading researchers using systems from the High Performance Computing Center Stuttgart (HLRS) in 2015. The reports cover all fields of computational science and engineering ranging from CFD to computational physics and from chemistry to computer science with a special emphasis on industrially relevant applications. Presenting findings of one of Europe’s leading systems, this volume covers a wide variety of applications that deliver a high level of sustained performance. The book covers the main methods in high-performance computing. Its outstanding results in achieving the best performance for production codes are of particular interest for both scientists and engineers. The book comes with a wealth of color illustrations and tables of results.
Surface and Defect Properties of Solids
Annotation Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 90 years The Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was ...
Science and Technology of Chemiresistor Gas Sensors
Gas sensor technology has advanced remarkably during past few decades and has become one of the indispensable technologies for modern society. Varieties of gas sensors are commercially available and, using innovative ideas, efforts are being made to develop gas sensors of next generation having very small size with very low power consumption. The ultimate model for this is probably given by sensory organs of our own body, which are implanted finely and work well with a very modest amount of energy. In order to achieve this goal, it is essential that various aspects of gas sensors are seriously considered. These include understanding of gas sensing mechanisms, development of new materials and methods to synthesise them into selective sensors, innovations in nanostructured materials, measurement methods, microfabrication of sensors, exploring intelligent sensing system, etc. This book examines these issues pertaining to chemiresistive gas sensors.
Symmetry and Condensed Matter Physics
Unlike existing texts, this book blends for the first time three topics in physics - symmetry, condensed matter physics and computational methods - into one pedagogical textbook. It includes new concepts in mathematical crystallography; experimental methods capitalizing on symmetry aspects; non-conventional applications such as Fourier crystallography, color groups, quasicrystals and incommensurate systems; as well as concepts and techniques behind the Landau theory of phase transitions. Adopting a computational approach to the application of group theoretical techniques to solving symmetry related problems, it dramatically alleviates the need for intensive calculations usually found in the presentation of symmetry. Writing computer programs helps the student achieve a firm understanding of the underlying concepts, and sample programs, based on Mathematica, are presented throughout the book. Containing over 150 exercises, this textbook is ideal for graduate students in condensed matter physics, materials science, and chemistry. Solutions and computer programs are available online at www.cambridge.org/9780521828451.
