Orbital Approach to the Electronic Structure of Solids

Enric Canadell (1) , Marie-Liesse Doublet (2, 3) , Christophe Iung (2)

1 ICMAB - Institut de Ciència de Materials de Barcelona
2 ICGM ICMMM - Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier
3 RS2E - Réseau sur le stockage électrochimique de l'énergie

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.

Mots clés: band theory; band structure; crystal orbitals; density of states; fermi surface; transport properties; electron repulsion

Domaines: Science des matériaux [cond-mat.mtrl-sci]; Chimie théorique et/ou physique

Enric Canadell, Marie-Liesse Doublet, Christophe Iung. Orbital Approach to the Electronic Structure of Solids. Oxford University Press. Oxford University Press, pp.1-364, 2012, Oxford University Press, ISBN 97-0-19-953493-7. ⟨hal-00678274⟩