Modified Hubbard Model for Complex TCNQ Salts
Authors:
- 1 October 1971
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 55 (7) , 3284-3290
Abstract
The magnetic, electric, and optical properties of the complex salts of tetracyanoquinodimethan (TCNQ) are related to a single theoretical model, the modified Hubbard Hamiltonian, for molecular crystals whose lowest electronic excitations involve electron transfers. Complex TCNQ salts correspond to less than half-filled modified Hubbard models and require explicit treatment of both spatial and spin correlations among electrons. The charge and spin excitations for less than half-filled Hubbard models are obtained near the separated molecule limit and applied to Cs2(TCNQ)3.Keywords
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