Orbital Approach to the Electronic Structure of Solids PDF Download
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Author: Enric Canadell
Publisher: OUP Oxford
ISBN: 0191627410
Category : Science
Languages : en
Pages : 364
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Book Description
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.
Author: Enric Canadell
Publisher: OUP Oxford
ISBN: 0191627410
Category : Science
Languages : en
Pages : 364
Get Book
Book Description
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.
Author: Walter A. Harrison
Publisher: Courier Corporation
ISBN: 0486141780
Category : Science
Languages : en
Pages : 610
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Book Description
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.
Author: B. R. Coles
Publisher: Elsevier
ISBN: 1483280128
Category : Science
Languages : en
Pages : 149
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Book Description
The Electronic Structures of Solids aims to provide students of solid state physics with the essential concepts they will need in considering properties of solids that depend on their electronic structures and idea of the electronic character of particular materials and groups of materials. The book first discusses the electronic structure of atoms, including hydrogen atom and many-electron atom. The text also underscores bonding between atoms and electrons in metals. Discussions focus on bonding energies and structures in the solid elements, eigenstates of free-electron gas, and electrical conductivity. The manuscript reviews the presence of electrons in metals, as well as consequences of the periodic potential; Brillouin zones and the nearly-free-electron model; electronic structures of the metallic elements; and calculation of band structures. The text also ponders on metals, insulators, and semiconductors. Topics include full and empty bands, compound and doped semiconductors, optical properties of solids, and the dynamics of electron and holes. The book is a dependable reference for readers and students of solid state physics interested in the electronic structure of solids.
Author: Enric Canadell
Publisher: Oxford University Press
ISBN: 0199534934
Category : Science
Languages : en
Pages : 365
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Book Description
This book is aiming at filling the gap between the different languages of the physics and chemistry communities to understand the electronic structure of solids. How structure and properties of solids are related is illustrated by considering in detail a large number of real examples.
Author: Wai-Yim Ching
Publisher: Oxford University Press
ISBN: 0199575800
Category : Science
Languages : en
Pages : 325
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Book Description
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.
Author: David Yarkony
Publisher: World Scientific
ISBN: 9789810229870
Category : Science
Languages : en
Pages : 772
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Book Description
Modern Electronic Structure Theory provides a didactically oriented description of the latest computational techniques in electronic structure theory and their impact in several areas of chemistry. The book is aimed at first year graduate students or college seniors considering graduate study in computational chemistry, or researchers who wish to acquire a wider knowledge of this field.
Author: Adrian P. Sutton
Publisher: Clarendon Press
ISBN: 0191588539
Category :
Languages : en
Pages : 282
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Book Description
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. -
Author: Roald Hoffmann
Publisher: John Wiley & Sons
ISBN: 0471187100
Category : Science
Languages : en
Pages : 164
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Book Description
This unique book shows how chemistry and physics come together in the solid state and on surfaces. Using a lively, graphic, descriptive approach, it teaches chemists the language that is necessary to understand the electronic structure of extended systems. And, at the same time, it demonstrates how a chemical, frontier-orbital, approach to solid state and surface bonding and reactivity may be constructed. The book begins with the language of crystal orbitals, band structures and densities of states. The tools for moving back from the highly delocalized orbitals of the solid are then built up in a transparent manner; they include decompositions of the densities of states and crystal orbital overlap populations. Using these tools, the book shapes a meeting ground between detailed quantum mechanical calculations and a chemical frontier orbital perspec- tive. Applications include a general picture of chemisorption, bond-breaking and making in the solid state, bonding in metals, the electronic structure of selected conducting and supercon- ducting structures, dissociation, migration and coupling on surfaces and the forces controlling deformation of extended systems.
Author: David Vanderbilt
Publisher: Cambridge University Press
ISBN: 110715765X
Category : Science
Languages : en
Pages : 395
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Book Description
An introduction to the role of Berry phases in our modern understanding of the physics of electrons in solids.
Author: Roald Hoffmann
Publisher: John Wiley & Sons
ISBN: 1119815142
Category : Science
Languages : de
Pages : 164
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Book Description
Dieses einzigartige Buch läßt Chemie und Physik im festen Zustand und auf Oberflächen 'zusammentreffen'. In einer lebhaften und anschaulichen Weise bringt es Chemikern die Sprache bei, mit der sie die Elektronenstruktur ausgedehnter Systeme verstehen lernen können. Gleichzeitig zeigt es, wie auch von Seiten der Chemie Modelle über den festen Zustand sowie über Bindungen und Reaktivität von Oberflächen erstellt werden können. Das Buch bedient sich zunächst der Sprache von Kristallorbitalen, Bandstrukturen und Zustandsdichten. Danach stellt es die Werkzeuge bereit, mit denen der Leser weg von den stark delokalisierten Orbitalen des Festkörpers gelangt, darunter der Zerfall von Zustandsdichten und die Population von Kristallorbital-Overlaps. Mit diesen Werkzeugen schafft es der Autor, detaillierte quantenmechanische Berechnungen mit der chemischen Betrachtungsweise mit Grenzorbitalen zu verknüpfen. Die beschriebenen Anwendungen umfassen eine allgemeine Vorstellung der Chemisorption, Bindungsbildung und -zerfall im festen Zustand, Bindungen im Metall, die Elektronenstruktur ausgewählter leitender und supraleitender Verbindungen sowie die für die Deformation ausgedehnter Systeme verantwortlichen Kräfte.
