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Author: Walter A. Harrison
Publisher: Courier Corporation
Published: 2012-03-08
Total Pages: 610
ISBN-13: 0486141780
DOWNLOAD EBOOKThis 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.
Author: Efthimios Kaxiras
Publisher: Cambridge University Press
Published: 2003-01-09
Total Pages: 700
ISBN-13: 0521810108
DOWNLOAD EBOOKGraduate-level textbook for physicists, chemists and materials scientists.
Author: Hugues Dreysse
Publisher: Springer Science & Business Media
Published: 2000-04-14
Total Pages: 463
ISBN-13: 3540672389
DOWNLOAD EBOOKA very comprehensive book, enabling the reader to understand the basic formalisms used in electronic structure determination and particularly the "Muffin Tin Orbitals" methods. The latest developments are presented, providing a very detailed description of the "Full Potential" schemes. This book will provide a real state of the art, since almost all of the contributions on formalism have not been, and will not be, published elsewhere. This book will become a standard reference volume. Moreover, applications in very active fields of today's research on magnetism are presented. A wide spectrum of such questions is covered by this book. For instance, the paper on interlayer exchange coupling should become a "classic", since there has been fantastic experimental activity for 10 years and this can be considered to be the "final" theoretical answer to this question. This work has never been presented in such a complete form.
Author: Jorge Kohanoff
Publisher: Cambridge University Press
Published: 2006-06-29
Total Pages: 372
ISBN-13: 1139453483
DOWNLOAD EBOOKElectronic structure problems are studied in condensed matter physics and theoretical chemistry to provide important insights into the properties of matter. This 2006 graduate textbook describes the main theoretical approaches and computational techniques, from the simplest approximations to the most sophisticated methods. It starts with a detailed description of the various theoretical approaches to calculating the electronic structure of solids and molecules, including density-functional theory and chemical methods based on Hartree-Fock theory. The basic approximations are thoroughly discussed, and an in-depth overview of recent advances and alternative approaches in DFT is given. The second part discusses the different practical methods used to solve the electronic structure problem computationally, for both DFT and Hartree-Fock approaches. Adopting a unique and open approach, this textbook is aimed at graduate students in physics and chemistry, and is intended to improve communication between these communities. It also serves as a reference for researchers entering the field.
Author: Victor Antonov
Publisher: Springer Science & Business Media
Published: 2004-02-29
Total Pages: 538
ISBN-13: 140201905X
DOWNLOAD EBOOK"The book also presents the MO properties of f band ferromagnetic materials: Tm, Nd, Sm, Ce and La monochalcogenides, some important Yb compounds, SmB6 and Nd3S4, UFe2, U3X4 (X=P, As, Sb, Bi, Se and Te), UCu2P2, UCuP2, UCuAs2, UAsSe, URhA1, UGa2 and UPd3. Within the total group of alloys and compounds, we discuss their MO spectra in relationship to: the spin-orbit coupling strength, the magnitude of the local magnetic moment, the degree of hybridization in the bonding, the half-metallic character, or, equivalently, the Fermi level filling of the bandstructure, the intraband plasma frequency, and the influence of the crystal structure."--BOOK JACKET.
Author: Richard M. Martin
Publisher: Cambridge University Press
Published: 2004-04-08
Total Pages: 658
ISBN-13: 9780521782852
DOWNLOAD EBOOKAn important graduate textbook in condensed matter physics by highly regarded physicist.
Author: Dimitris A. Papaconstantopoulos
Publisher: Springer
Published: 2014-11-10
Total Pages: 663
ISBN-13: 1441982647
DOWNLOAD EBOOKThis handbook presents electronic structure data and tabulations of Slater-Koster parameters for the whole periodic table. This second edition presents data sets for all elements up to Z = 112, Copernicium, whereas the first edition contained only 53 elements. In this new edition, results are given for the equation of state of the elements together with the parameters of a Birch fit, so that the reader can regenerate the results and derive additional information, such as Pressure-Volume relations and variation of Bulk Modulus with Pressure. For each element, in addition to the equation of state, the energy bands, densities of states and a set of tight-binding parameters is provided. For a majority of elements, the tight-binding parameters are presented for both a two- and three-center approximation. For the hcp structure, new three-center tight-binding results are given. Other new material in this edition include: energy bands and densities of states of all rare-earth metals, a discussion of the McMillan-Gaspari-Gyorffy theories and a tabulation of the electron-ion interaction matrix elements. The evaluation of the Stoner criterion for ferromagnetism is examined and results are tabulated. This edition also contains two new appendices discussing the effects of spin-orbit interaction and a modified version of Harrison's tight-binding theory for metals which puts the theory on a quantitative basis.
Author: Enric Canadell
Publisher: OUP Oxford
Published: 2012-01-12
Total Pages: 364
ISBN-13: 0191627410
DOWNLOAD EBOOKThis book provides an intuitive yet sound understanding of how structure and properties of solids may be related. The natural link is provided by the band theory approach to the electronic structure of solids. The chemically insightful concept of orbital interaction and the essential machinery of band theory are used throughout the book to build links between the crystal and electronic structure of periodic systems. In such a way, it is shown how important tools for understanding properties of solids like the density of states, the Fermi surface etc. can be qualitatively sketched and used to either understand the results of quantitative calculations or to rationalize experimental observations. Extensive use of the orbital interaction approach appears to be a very efficient way of building bridges between physically and chemically based notions to understand the structure and properties of solids.
Author: John Singleton
Publisher: OUP Oxford
Published: 2001-08-30
Total Pages: 239
ISBN-13: 0191057460
DOWNLOAD EBOOKThis book provides an introduction to band theory and the electronic properties of materials at a level suitable for final-year undergraduates or first-year graduate students. It sets out to provide the vocabulary and quantum-mechanical training necessary to understand the electronic, optical and structural properties of the materials met in science and technology and describes some of the experimental techniques which are used to study band structure today. In order to leave space for recent developments, the Drude model and the introduction of quantum statistics are treated synoptically. However, Bloch's theorem and two tractable limits, a very weak periodic potential and the tight-binding model, are developed rigorously and in three dimensions. Having introduced the ideas of bands, effective masses and holes, semiconductor and metals are treated in some detail, along with the newer ideas of artificial structures such as super-lattices and quantum wells, layered organic substances and oxides. Some recent `hot topics' in research are covered, e.g. the fractional Quantum Hall Effect and nano-devices, which can be understood using the techniques developed in the book. In illustrating examples of e.g. the de Haas-van Alphen effect, the book focuses on recent experimental data, showing that the field is a vibrant and exciting one. References to many recent review articles are provided, so that the student can conduct research into a chosen topic at a deeper level. Several appendices treating topics such as phonons and crystal structure make the book self-contained introduction to the fundamentals of band theory and electronic properties in condensed matter physic today.
Author: Michael Springborg
Publisher: Wiley
Published: 2000-07-26
Total Pages: 0
ISBN-13: 9780471979760
DOWNLOAD EBOOKElectronic-structure calculations of the properties of specific materials have become increasingly important over the last 30 years. Although several books on the subject have been published, it is rare to find one that covers in detail both the traditional quantum chemistry and the solid-state physics methods of electronic-structure calculations. This title bridges that gap, focusing equally on both types of method, including density-functional and Hartree-Fock-based approaches. The book is aimed at final-year undergraduate and postgraduate students of both chemistry and of physics. It describes in detail the fundamentals behind the various methods that are used in calculating electronic properties of materials, and that to some extent are commercially available. It should also be of interest to professional scientists working in related theoretical or experimental fields.
