Orbital Approach to the Electronic Structure of Solids

by Enric Canadell, Marie-Liesse Doublet, Christophe Iung

Overview

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.

Product Details

ISBN-13:	9780191627415
Publisher:	OUP Oxford
Publication date:	01/12/2012
Sold by:	Barnes & Noble
Format:	eBook
File size:	34 MB
Note:	This product may take a few minutes to download.

About the Author

Enric Canadell was educated at the Universities of Barcelona and Autónoma de Madrid, conducted research at the Universities of Barcelona, Chicago and Paris -Sud Orsay and since 1996 is Research Professor at the Institut de Ciència de Materials de Barcelona (CSIC). He is mostly interested in the development of ideas to relate the structure and properties of solids. In 1995 was awarded the Rochat-Julliard Prize of the Académie des Sciences de Paris for work on the electronic structure of low dimensional solids. Marie-Liesse Doublet was educated at Université de Paris-Sud Orsay and carried out research at the Vrije Universiteit Amsterdam, Institut des Matériaux de Nantes and Université de Montpellier 2 where she is now Directeur de Recherches (CNRS). Her research work deals with the electronic structure of solids with a special interest for energy storage materials. Christophe Iung studied at École Normale Supérieure de St Cloud and holds a Ph. D. from Université de Paris-Sud Orsay. He is now Full Professor and Vice-President of the Education Council of the University of Montpellier 2. His main research interest is in the field of quantum molecular dynamics.

Table of Contents

1. Elementary introduction to the transport properties of solids2. Electronic structure of molecules: use of the symmetry3. Electronic Structure of One-dimensional Systems: Basic Notions4. Electronic First-order Peierls distortions in periodic 1D systems5. Application to trans-polyacetylene6. Handling the symmetry in 1D compounds7. Application to polyacene8. Electronic structure of selected inorganic chains9. Electronic structure of 2D and 3D systems10. Density of States11. Fermi surface and Low Dimensional Metals12. Electron repulsion