Unified phase diagram of models exhibiting a neutral-ionic transition

Ö Legeza, K. Buchta, J. Sólyom

Research output: Contribution to journalArticle

18 Citations (Scopus)

Abstract

We have studied the neutral-ionic transition in organic mixed-stack compounds. A unified model has been derived which, in limiting cases, is equivalent to the models proposed earlier, the donor-acceptor model, and the ionic Hubbard model. Detailed numerical calculations have been performed on this unified model with the help of the density-matrix renormalization-group (DMRG) procedure calculating excitation gaps, ionicity, lattice site entropy, two-site entropy, and the dimer order parameter on long chains and the unified phase diagram has been determined.

Original languageEnglish
Article number165124
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume73
Issue number16
DOIs
Publication statusPublished - May 11 2006

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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