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Neutral-ionic transitions in organic mixed-stack compounds

Neutral-ionic transitions in organic mixed-stack compounds Torrance et al. have made the interesting observation that several mixed-stack organic compounds undergo transitions from neutral states to ionic states as the temperature or pressure is varied. We examine a simple model of such transitions including Coulomb interaction and hybridization of neutral and ionic states. In the limit of weak hybridization and long-range repulsive interaction between ionic planes, it is proven that there is a complete devil's staircase where the degree of ionicity assumes an infinity of rational values. For attractive interactions between ionic planes, the neutral-ionic transition is shown to be first order for weak hybridization. Comparison with experiment indicates that this situation applies to tetrathiafulvalene chloranil. For strong hybridization the transition is continuous but goes through a metallic phase. It is shown, for the first time, that the spectrum of the charge-transfer Hamiltonian contains both a bound spectrum, the observed charge-transfer excitations, and a continuum. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Physical Review B American Physical Society (APS)

Neutral-ionic transitions in organic mixed-stack compounds

Physical Review B , Volume 27 (1) – Jan 1, 1983
11 pages

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Publisher
American Physical Society (APS)
Copyright
Copyright © 1983 The American Physical Society
ISSN
1095-3795
DOI
10.1103/PhysRevB.27.456
Publisher site
See Article on Publisher Site

Abstract

Torrance et al. have made the interesting observation that several mixed-stack organic compounds undergo transitions from neutral states to ionic states as the temperature or pressure is varied. We examine a simple model of such transitions including Coulomb interaction and hybridization of neutral and ionic states. In the limit of weak hybridization and long-range repulsive interaction between ionic planes, it is proven that there is a complete devil's staircase where the degree of ionicity assumes an infinity of rational values. For attractive interactions between ionic planes, the neutral-ionic transition is shown to be first order for weak hybridization. Comparison with experiment indicates that this situation applies to tetrathiafulvalene chloranil. For strong hybridization the transition is continuous but goes through a metallic phase. It is shown, for the first time, that the spectrum of the charge-transfer Hamiltonian contains both a bound spectrum, the observed charge-transfer excitations, and a continuum.

Journal

Physical Review BAmerican Physical Society (APS)

Published: Jan 1, 1983

There are no references for this article.