atomic and electronic structure of solids

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Atomic And Electronic Structure Of Solids

Author : Efthimios Kaxiras
ISBN : 0521523397
Genre : Science
File Size : 79. 39 MB
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Graduate-level textbook for physicists, chemists and materials scientists.

Electronic Structure And The Properties Of Solids

Author : Walter A. Harrison
ISBN : 9780486141787
Genre : Science
File Size : 49. 85 MB
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This 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.

Electronic Structure Calculations For Solids And Molecules

Author : Jorge Kohanoff
ISBN : 9781139453486
Genre : Science
File Size : 83. 48 MB
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Electronic 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.

Electronic Structure Of Materials

Author : Adrian P. Sutton
ISBN : 9780191588532
Genre :
File Size : 50. 67 MB
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This book describes the modern real-space approach to electronic structures and properties of crystalline and non-crystalline materials in a form readily accessible to undergraduates in materials science, physics, and chemistry. - ;This book describes the modern real-space approach to electronic structures and properties of crystalline and non-crystalline materials in a form readily accessible to undergraduates in materials science, physics, and chemistry. -

Theory Of Defects In Solids

Author : A. M. Stoneham
ISBN : 0198507801
Genre : Science
File Size : 66. 68 MB
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This book surveys the theory of defects in solids, concentrating on the electronic structure of point defects in insulators and semiconductors. The relations between different approaches are described, and the predictions of the theory compared critically with experiment. The physical assumptions and approximations are emphasized. The book begins with the perfect solid, then reviews the main methods of calculating defect energy levels and wave functions. The calculation and observable defect properties is discussed, and finally, the theory is applied to a range of defects that are very different in nature. This book is intended for research workers and graduate students interested in solid-state physics. From reviews of the hardback: 'It is unique and of great value to all interested in the basic aspects of defects in solids.' Physics Today 'This is a particularly worthy book, one which has long been needed by the theoretician and experimentalist alike.' Nature

Quantum Chemistry Of Solids

Author : R.A. Evarestov
ISBN : 9783642303562
Genre : Science
File Size : 22. 77 MB
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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 methods for chemical bonding analysis in periodic systems are discussed. The second part deals with the applications of LCAO methods for calculations of bulk crystal properties, including magnetic ordering and crystal structure optimization. In the second edition two new chapters are added in the application part II of the book. Chapter 12 deals with the recent LCAO calculations and illustrates the efficiency of the scalar-relativistic LCAO method for solids, containing heavy atoms. Chapter 13 deals with the symmetry properties and the recent applications of LCAO method to inorganic nanotubes. New material is added to chapter 9 devoted to LCAO calculations of perfect-crystal properties. The possibilities of LCAO method for calculation of the high-frequency dielectric constants of crystals and the description of phase transitions in solids are discussed. The efficiency of LCAO method in the quantum-mechanics-molecular dynamics approach to the interpretation of x-ray absorption and EXAFS spectra is illustrated. A new section is devoted to recent LCAO calculations of electronic, vibrational and magnetic properties of tungstates MeWO4 (Me: Fe,Co,Ni,Cu,Zn,Cd).

Solid State Physics 1e

Author : Rita John
ISBN : 9789332901803
Genre :
File Size : 20. 14 MB
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`Solid State Physics? focuses on the fundamental concepts while building a strong conceptual framework. It provides systematic and comprehensive coverage to topics such as Crystal Structure and Bonding, Lattice dynamics and Phonons, Thermal and Electrical Properties, Superconductivity, Semiconductors, Dielectrics, Basics of Density Functional Theory and Band Structure calculations and Physics of nano solids. It also introduces relevant information on recent developments. Salient Features ? Systematic development of topics with micro-details as part of analysis ? Dedicated chapter on `Physics of Nano Solids? ? Elaborate and complete derivations supported by apt pedagogy?

Orbital Approach To The Electronic Structure Of Solids

Author : Enric Canadell
ISBN : 9780191627415
Genre : Science
File Size : 83. 26 MB
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This 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.

Electronic Structure Methods For Complex Materials

Author : Wai-Yim Ching
ISBN : 9780191635069
Genre : Science
File Size : 81. 51 MB
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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.

Positron Spectroscopy Of Solids

Author : Alfredo Dupasquier
ISBN : 9051992033
Genre : Science
File Size : 63. 71 MB
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