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Step‐by‐Step Construction of the Electronic Structure of Molecular Conductors: Conceptual Aspects and Applications
Author(s) -
Rousseau R.,
Gener M.,
Canadell E.
Publication year - 2004
Publication title -
advanced functional materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 6.069
H-Index - 322
eISSN - 1616-3028
pISSN - 1616-301X
DOI - 10.1002/adfm.200305166
Subject(s) - electrical conductor , folding (dsp implementation) , materials science , symmetry (geometry) , perspective (graphical) , fermi surface , simple (philosophy) , electronic structure , nanotechnology , chemical physics , computer science , condensed matter physics , physics , geometry , mechanical engineering , mathematics , philosophy , superconductivity , epistemology , artificial intelligence , engineering , composite material
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.