Solids as Supergiant Molecules: LCAO

  • Eleftherios N. EconomouEmail author
Part of the Graduate Texts in Physics book series (GTP)


A one–dimensional periodic model of coupled pendulums is introduced, which, on the one hand, reduces to that of ionic coupled oscillations, and on the other, is mathematically equivalent to the electronic motion in the framework of the LCAO. The latter, depending on its parameters, can describe one–dimensional “metals,” “ionic solids,” “molecular solids,” “elemental semiconductors,” and “compound semiconductors.” Furthermore, important concepts, such as band and gaps, effective masses, valence and conduction bands, and gap size, Eg, are introduced.


Matrix Element Atomic Orbital Electronic Motion Primitive Cell Diagonal Matrix Element 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.


Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

Further Reading

  1. Harrison in his book [SS76] fully explores the possibilities of the LCAO.Google Scholar
  2. The book by Papaconstantopoulos [SS81] provides more realistic values for the matrix elements employed by the LCAO method.Google Scholar

Copyright information

© Springer-Verlag Berlin Heidelberg 2010

Authors and Affiliations

  1. 1.Foundation for Research and Technology-Hellas (FORTH) Department of PhysicsUniversity of CreteHeraklionGreece

Personalised recommendations