Download or read book Electronic Structure and Magnetism of Complex Materials written by David J. Singh and published by Springer Science & Business Media. This book was released on 2013-03-14 with total page 337 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Lecture Notes on Electron Correlation and Magnetism written by Patrik Fazekas and published by World Scientific. This book was released on 1999 with total page 794 pages. Available in PDF, EPUB and Kindle. Book excerpt: Readership: Graduate students and researchers in condensed matter physics.
Download or read book New Theoretical Approaches to Strongly Correlated Systems written by Alexei M. Tsvelik and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 308 pages. Available in PDF, EPUB and Kindle. Book excerpt: For many years, the physics of strongly correlated systems was considered a theorists' playground, right at the border with pure mathematics, where physicists from the `real world' did not venture. The time has come, however, when healthy physics cannot exist without these techniques and results. Lectures on selected topics in the theory of strongly correlated systems are here presented by the leading experts in the field. Topics covered include a use of the form factor approach in low-dimensional systems, applications of quantum field theory to disorder, and dynamical mean field theory. The main divisions of the book deal with: I) Quantum Critical Points; (II) Strongly Correlated One-Dimensional Systems; (III) Strong Correlations and Disorder; and (IV) Dynamical Mean Field Theory.
Download or read book First Principles Approaches to Spectroscopic Properties of Complex Materials written by Cristiana Di Valentin and published by Springer. This book was released on 2014-09-26 with total page 397 pages. Available in PDF, EPUB and Kindle. Book excerpt: The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students.
Download or read book Zentropy written by Zi-Kui Liu and published by CRC Press. This book was released on 2024-08-23 with total page 855 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book compiles selected publications authored or co-authored by the editor to present a comprehensive understanding of following topics: (1) density functional theory and CALPHAD modeling; (2) computational tools; and (3) applications of computational thermodynamics. It is noted that while entropy at one scale is well represented by standard statistical mechanics in terms of probability of individual configurations at that scale, the theory capable of counting total entropy of a system from different scales is lacking. The zentropy theory provides a nested form for configurational entropy enabling multiscale modeling to account for disorder and fluctuations from the electronic scale based on quantum mechanics to the experimental scale based on statistical mechanics using free energies of individual configurations rather than their total energies in standard statistical mechanics. The predictions from the zentropy theory demonstrate remarkable agreements with experimental observations for magnetic transitions and associated emergent behaviors of strongly correlated metals and oxides, including singularity and instability at critical points and positive and negative thermal expansions, without the need of additional truncated models and fitting model parameters beyond density function theory. This paves the way to provide the predicted phase equilibrium data for high throughput predictive CALPHAD modeling of complex material systems, and those individual configurations may thus be considered as the genomic building blocks of individual phases in the spirit of Materials Genome®.
Download or read book DMFT at 25 Infinite Dimensions written by Eva Pavarini and published by Forschungszentrum Jülich. This book was released on 2014 with total page 459 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Nanoalloys written by Florent Calvo and published by Elsevier. This book was released on 2020-06-26 with total page 526 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanoalloys, Second Edition, provides a self-contained reference on the physics and chemistry of nanoscale alloys, dealing with all important aspects that range from the theoretical concepts and the practical synthesis methods to the characterization tools. The book also covers modern applications of nanoalloys in materials science, catalysis or nanomedicine and discusses their possible toxicity. - Covers fundamentals and applicative aspects of nanoalloys in a balanced presentation, including theoretical and experimental perspectives - Describes physical and chemical approaches, synthesis and characterization tools - Illustrates the potential benefit of alloying on various applications ranging from materials science to energy production and nanomedicine - Updates and adds topics not fully developed at the time of the 1st edition, such as toxicity and energy applications
Download or read book Journal of the Physical Society of Japan written by and published by . This book was released on 2018 with total page 1102 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Emergent Phenomena in Correlated Matter written by Eva Pavarini and published by Forschungszentrum Jülich. This book was released on 2013 with total page 562 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Frontiers in Magnetic Materials written by Anant V. Narlikar and published by Springer Science & Business Media. This book was released on 2005-10-17 with total page 813 pages. Available in PDF, EPUB and Kindle. Book excerpt: Frontiers in Magnetic Materials focuses on the current achievements and state-of-the-art advancements in magnetic materials. Several lines of development- High-Tc Superconductivity, Nanotechnology and refined experimental techniques among them – raised knowledge and interest in magnetic materials remarkably. The book comprises 24 chapters on the most relevant topics written by renowned international experts in the field. It is of central interest to researchers and specialists in Physics and Materials Science, both in academic and industrial research, as well as advanced students.
Download or read book Interacting Electrons written by Richard M. Martin and published by Cambridge University Press. This book was released on 2016-06-30 with total page 843 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent progress in the theory and computation of electronic structure is bringing an unprecedented level of capability for research. Many-body methods are becoming essential tools vital for quantitative calculations and understanding materials phenomena in physics, chemistry, materials science and other fields. This book provides a unified exposition of the most-used tools: many-body perturbation theory, dynamical mean field theory and quantum Monte Carlo simulations. Each topic is introduced with a less technical overview for a broad readership, followed by in-depth descriptions and mathematical formulation. Practical guidelines, illustrations and exercises are chosen to enable readers to appreciate the complementary approaches, their relationships, and the advantages and disadvantages of each method. This book is designed for graduate students and researchers who want to use and understand these advanced computational tools, get a broad overview, and acquire a basis for participating in new developments.
Download or read book Progress in Physical Chemistry Volume 3 written by Franz Michael Dolg and published by Oldenbourg Verlag. This book was released on 2011-11-22 with total page 431 pages. Available in PDF, EPUB and Kindle. Book excerpt: Progress in Physical Chemistry is a collection of recent »Review Articles« published in the »Zeitschrift für Physikalische Chemie«. The third volume of the series "Progress in Physical Chemistry" comprises 27 articles, most of them with review character, written by the members of the Priority Program (SPP) 1145 of the German Research Foundation (DFG).
Download or read book Modern Ferrites Volume 1 written by Vincent G. Harris and published by John Wiley & Sons. This book was released on 2023-01-04 with total page 501 pages. Available in PDF, EPUB and Kindle. Book excerpt: MODERN FERRITES, Volume 1 A robust exploration of the basic principles of ferrimagnetics and their applications In Modern Ferrites Volume 1: Basic Principles, Processing and Properties, renowned researcher and educator Vincent G. Harris delivers a comprehensive overview of the basic principles and ferrimagnetic phenomena of modern ferrite materials. Volume 1 explores the fundamental properties of ferrite systems, including their structure, chemistry, and magnetism; the latest in processing methodologies; and the unique properties that result. The authors explore the processing, structure, and property relationships in ferrites as nanoparticles, thin and thick films, compacts, and crystals and how these relationships are key to realizing practical device applications laying the foundation for next generation technologies. This volume also includes: Comprehensive investigation of the historical and scientific significance of ferrites upon ancient and modern societies; Neel’s expanded theory of molecular field magnetism applied to ferrimagnetic oxides together with theoretic advances in density functional theory; Nonlinear excitations in ferrite systems and their potential for device technologies; Practical discussions of nanoparticle, thin, and thick film growth techniques; Ferrite-based electronic band-gap heterostructures and metamaterials. Perfect for RF engineers and magnetitians working in the field of RF electronics, radar, communications, and spintronics as well as other emerging technologies. Modern Ferrites will earn a place on the bookshelves of engineers and scientists interested in the ever-expanding technologies reliant upon ferrite materials and new processing methodologies. Modern Ferrites Volume 2: Emerging Technologies and Applications is also available (ISBN: 9781394156139).
Download or read book The Fundamentals of Electron Density Density Matrix and Density Functional Theory in Atoms Molecules and the Solid State written by N.I. Gidopoulos and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 233 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume records the proceedings of a Forum on The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State held at the Coseners' House, Abingdon-on-Thames, Oxon. over the period 31st May - 2nd June, 2002. The forum consisted of 26 oral and poster presentations followed by a discussion structure around questions and comments submitted by the participants (and others who had expressed an interest) in advance of the meeting. Quantum mechanics provides a theoretical foundation for our under standing of the structure and properties of atoms, molecules and the solid state in terms their component particles, electrons and nuclei. (Rel ativistic quantum mechanics is required for molecular systems contain ing heavy atoms.) However, the solution of the equations of quantum mechanics yields a function, a wave function, which depends on the co ordinates, both space and spin, of all of the particles in the system. This functions contains much more information than is required to yield the energy or other property.
Download or read book Electronic Structure of Alloys Surfaces and Clusters written by Abhijit Mookerjee and published by CRC Press. This book was released on 2002-11-28 with total page 385 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding the electronic structure of solids is a basic part of theoretical investigation in physics. Application of investigative techniques requires the solid under investigation to be "periodic." However, this is not always the case. This volume addresses three classes of "non-periodic" solids currently undergoing the most study: alloys, sur
Download or read book Computational Methods in Solid State Physics written by V V Nemoshkalenko and published by CRC Press. This book was released on 1999-02-19 with total page 272 pages. Available in PDF, EPUB and Kindle. Book excerpt: The combination of theoretical physics methods, numerical mathematics and computers has given rise to a new field of physics known as "computational physics." The purpose of this monograph is to present the various methods of computational physics, in particular the methods of band theory. The first chapter of the book provides an introduction to the field and presents the theoretical foundations of band theory. In the second and third chapters the authors describe both traditional and more modern methods of band theory and include practical recommendations for their use. Methods which are discussed include APW (augmented plane wave), Green's function method, LMTO (linear method of MT- orbitals), LKKR (linear Korringer, Kohn and Rostocker method), LAPW (linear augmented plane wave), ASW (augmented spherical waves), and LASO (linear method of augmented Slater orbitals). Great attention is paid to the practical aspects of these theories and the book is structured in such a way as to enable the reader to use any method in practice without reference to other sources.
Download or read book Virtual Synthesis of Nanosystems by Design written by Liudmila Pozhar and published by Elsevier. This book was released on 2015-02-20 with total page 383 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is the only book on a novel fundamental method that uses quantum many body theoretical approach to synthesis of nanomaterials by design. This approach allows the first-principle prediction of transport properties of strongly spatially non-uniform systems, such as small QDs and molecules, where currently used DFT-based methods either fail, or have to use empirical parameters. The book discusses modified algorithms that allow mimicking experimental synthesis of novel nanomaterials---to compare the results with the theoretical predictions--and provides already developed electronic templates of sub-nanoscale systems and molecules that can be used as components of larger materials/fluidic systems. - The only publication on quantum many body theoretical approach to synthesis of nano- and sub-nanoscale systems by design. - Novel and existing many-body field theoretical, computational methods are developed and used to realize the theoretical predictions for materials for IR sensors, light sources, information storage and processing, electronics, light harvesting, etc. Novel algorithms for EMD and NEMD molecular simulations of the materials' synthesis processes and charge-spin transport in synthesized systems are developed and described. - Includes the first ever models of Ni-O quantum wires supported by existing experimental data. - All-inclusive analysis of existing experimental data versus the obtained theoretical predictions and nanomaterials templates.
