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Electronic Structure and Magnetism of Complex Materials

Electronic Structure and Magnetism of Complex Materials
Author: David J. Singh
Publisher: Springer Science & Business Media
Total Pages: 352
Release: 2003-03-06
Genre: Science
ISBN: 9783540433828

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Recent developments in electronic structure theory have led to a new understanding of magnetic materials at the microscopic level. This enables a truly first-principles approach to investigations of technologically important magnetic materials. Among the advances treated here have been practical schemes for handling non-collinear magnetic systems, including relativity, and an understanding of the origins and role of orbital magnetism within band structure formalisms. This book provides deep theoretical insight into magnetism, mahneatic materials, and magnetic systems. It covers these recent developments with review articles by some of the main originators of these developments.


Electronic Structure and Magnetism of Complex Materials

Electronic Structure and Magnetism of Complex Materials
Author: David J. Singh
Publisher: Springer Science & Business Media
Total Pages: 337
Release: 2013-03-14
Genre: Science
ISBN: 3662053101

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Recent developments in electronic structure theory have led to a new understanding of magnetic materials at the microscopic level. This enables a truly first-principles approach to investigations of technologically important magnetic materials. Among the advances treated here have been practical schemes for handling non-collinear magnetic systems, including relativity, and an understanding of the origins and role of orbital magnetism within band structure formalisms. This book provides deep theoretical insight into magnetism, mahneatic materials, and magnetic systems. It covers these recent developments with review articles by some of the main originators of these developments.


Electronic Structure Methods for Complex Materials

Electronic Structure Methods for Complex Materials
Author: Wai-Yim Ching
Publisher: OUP Oxford
Total Pages: 328
Release: 2012-05-17
Genre: Science
ISBN: 0191635065

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Density functional theory (DFT) has blossomed in the past few decades into a powerful tool that is used by experimentalists and theoreticians alike. This book highlights the extensive contributions that the DFT-based OLCAO method has made to progress in this field, and it demonstrates its competitiveness for performing ab initio calculations on large and complex models of practical systems. A brief historical account and introduction to the elements of the theory set the stage for discussions on semiconductors, insulators, crystalline metals and alloys, complex crystals, non-crystalline solids and liquids, microstructure containing systems and those containing impurities, defects, and surfaces, biomolecular systems, and the technique of ab initio core level spectroscopy calculation.


Electronic Structure of Materials

Electronic Structure of Materials
Author: Natalia Chezhina
Publisher: CRC Press
Total Pages: 175
Release: 2019-04-01
Genre: Science
ISBN: 0429516029

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This book is a short survey of magnetochemistry as a promising method for revealing the electronic structure of inorganic substances, particularly solid oxide materials. It is supported by five chapters that describe materials with various structures and applications, showing how the method of magnetic dilution with the aid of other physical methods (electron spin resonance, magnetization, Raman and Mössbauer spectroscopy, and electrical conductivity), accompanied by thorough structural and quantum mechanical studies, may be used for describing the states of atoms and interatomic interactions in multicomponent oxide systems. The book will serve as a guide for researchers in the field of various oxide materials, since it shows the roots for selecting the best structures and qualitative and quantitative compositions of oxide materials on the basis of the knowledge about their electronic structure. It is devoted to some of the most popular structures of multicomponent oxides among modern materials—perovskites and pyrochlores—giving a unified approach to their chemical structure.


Electronic Structure and Magnetism of Inorganic Compounds

Electronic Structure and Magnetism of Inorganic Compounds
Author: P Day
Publisher: Royal Society of Chemistry
Total Pages: 326
Release: 2007-10-31
Genre: Science
ISBN: 1847555969

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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 80 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 born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.


Electronic Structure Methods for Complex Materials

Electronic Structure Methods for Complex Materials
Author: Wai-Yim Ching
Publisher: Oxford University Press
Total Pages: 325
Release: 2012-05-17
Genre: Science
ISBN: 0199575800

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This book details the application of the OLCAO method for calculating the properties of solids from fundamental principles to a wide array of material systems. The method specializes in large and complex models and is able to compute a variety of useful properties including electronic, optical, and spectroscopic properties.


Electronic Structure, Correlation Effects and Physical Properties of D- and F-metals and Their Compounds

Electronic Structure, Correlation Effects and Physical Properties of D- and F-metals and Their Compounds
Author: Valentin Yu Irkhin
Publisher: Cambridge Int Science Publishing
Total Pages: 464
Release: 2007
Genre: Science
ISBN: 190460255X

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The book includes all main physical properties of d- and f-transition-metal systems and corresponding theoretical concepts. Special attention is paid to the theory of magnetism and transport phenomena. Some examples of non-traditional questions which are treated in detail in the book: the influence of density of states singularities on electron properties; many-electron description of strong itinerant magnetism; mechanisms of magnetic anisotropy; microscopic theory of anomalous transport phenomena in ferromagnets. Besides considering classical problems of solid state physics as applied to transition metals, modern developments in the theory of correlation effects in d- and f-compounds are considered within many-electron models. The book contains, where possible, a simple physical discussion. More difficult questions are considered in Appendices.


Theory of Itinerant Electron Magnetism

Theory of Itinerant Electron Magnetism
Author: Jürgen Kübler
Publisher: Oxford University Press
Total Pages: 494
Release: 2017-03-23
Genre: Science
ISBN: 0191565423

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This book, in the broadest sense, is an application of quantum mechanics and statistical mechanics to the field of magnetism. Under certain well described circumstances, an immensely large number of electrons moving in the solid state of matter will collectively produce permanent magnetism. Permanent magnets are of fundamental interest, and magnetic materials are also of great practical importance as they provide a large field of technological applications. The physical details describing the many electron problem of magnetism are presented in this book on the basis of the local density functional approximation. The emphasis is on realistic magnets, for which the equations describing the many electron problem can only be solved by using computers. The great, recent and continuing improvements of computers are, to a large extent, responsible for the progress in the field. Along with a detailed introduction to the density functional theory, this book presents representative computational methods and provides the reader with a complete computer programme for the determination of the electronic structure of a magnet on a PC. A large part of the book is devoted to a detailed treatment of the connections between electronic properties and magnetism, and how they differ in the various known magnetic systems. Current trends are exposed and explained for a large class of alloys and compounds. The modern field of artificially layered systems - known as multilayers - and their industrial applications are dealt with in detail. Finally, an attempt is made to relate the rich thermodynamic properties of magnets to the ab initio results originating from the electronic structure.