Simple model for nonconducting tetracyanoquinodimethane (TCNQ) salts with donor to acceptor ratio 2:1

A. Zawadowski, Morrel H. Cohen

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Abstract

We propose a simple model for those nonconducting tetracyanoquinodimethane (TCNQ) salts in which the ratio of the numbers of donor and acceptor chains is 2:1. We assume that each TCNQ chain can be subdivided into electrically neutral boxes containing two TCNQ molecules and one electron. Electron transfer between boxes is neglected. The dominant Coulomb and exchange interactions are identified. The free energy is calculated exactly in two limits, vanishing and infinite intrabox hopping. Depending on the signs and relative magnitude of the Coulomb interactions, we find in the first case singlet, or paramagnetic doublet, or triplet ground states. In the second case, we find ferromagnetic or antiferromagnetic ground states. We discuss also the intermediate cases.

Original languageEnglish
Pages (from-to)1730-1734
Number of pages5
JournalPhysical Review B
Volume16
Issue number4
DOIs
Publication statusPublished - Jan 1 1977

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ASJC Scopus subject areas

  • Condensed Matter Physics

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