Unified phase diagram of models exhibiting neutral-ionic transition

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.

11 pages, 8 figures

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• Mass-Imbalanced Ionic Hubbard Chain
• Flow Equations for the Ionic Hubbard Model
• Classical Analogue of the Ionic Hubbard Model
• Dynamical Charge Structure Factor of a One-Dimensional Ionic Hubbard Model in the Low-Energy Region