Step-by-step construction of the electronic structure of molecular conductors: Conceptual aspects and applications

Roger Rousseau, Marc Gener, Enric Canadell

Research output: Contribution to journalArticle

33 Citations (Scopus)


A qualitative scheme that leads to the step-by-step construction of the band structure and Fermi surface of molecular conductors is developed based on a simple analytical treatment as well as some fundamental symmetry and overlap ideas and the concept of folding. This treatment is valuable in that it provides a detailed understanding of how the crystal and electronic structures of molecular conductors are related. Specifically, the proposed perspective clarifies how relatively weak structural changes can result in significant differences in the transport properties of these materials. Molecular conductors with donor layers of the β″-type are used in order to illustrate the approach.

Original languageEnglish
Pages (from-to)201-214
Number of pages14
JournalAdvanced Functional Materials
Issue number3
Publication statusPublished - Mar 2004


ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

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