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Charge Density Wave State of Monolayers in Graphite Intercalation Compounds
Author(s) -
Andrei L. Tchougréeff
Publication year - 1996
Publication title -
the journal of physical chemistry
Language(s) - English
Resource type - Journals
eISSN - 1541-5740
pISSN - 0022-3654
DOI - 10.1021/jp953299u
Subject(s) - monolayer , chemistry , graphite , intercalation (chemistry) , charge density , hamiltonian (control theory) , electronic structure , charge density wave , chemical physics , condensed matter physics , crystallography , computational chemistry , inorganic chemistry , physics , quantum mechanics , organic chemistry , mathematical optimization , biochemistry , mathematics , superconductivity
The electronic structure of a graphite monolayer with electron count corresponding to the graphite intercalation compound (GIC), described by the extended Hubbard Hamiltonian, is studied in the unrestricted Hartree−Fock approximation. We also interpret the data on observed STM images of graphite intercalation compounds. The well-known (and puzzling) pattern of graphite STM images with only three of the six atoms of each carbon hexagon visible is tentatively explained by the formation of a charge density wave (CDW) state of the surface graphite monolayer, which is an intrinsic feature of its electronic structure, rather than invoking well-known attributions of the observed effect to structural differences between the sites and/or to interactions external to the monolayer. A tentative, purely electronic, explanation for the Moire patterns is proposed as well.

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