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Phys. Rev. Lett. 47, 1750–1754 (1981)

Model of the Neutral-Ionic Phase Transformation

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J. Hubbard and J. B. Torrance
IBM Research Laboratory, San Jose, California 95193

Received 23 June 1981; published in the issue dated 14 December 1981

A model is presented describing how an organic solid transforms between a neutral and an ionic ground state. Whereas for a one-dimensional stack this transition is expected to be first order, the Coulomb interactions between stacks can cause the phase transition to occur over a broad temperature range by stabilizing an intermediate region in between the neutral and ionic phases, in which both neutral and ionized species coexist, as observed in tetrathiafulvalene-chloranil.

© 1981 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.47.1750
DOI:
10.1103/PhysRevLett.47.1750
PACS:
64.70.Kb, 71.45.Nt, 72.80.Le, 61.50.Lt