Mobile bipolaron

Phys Rev Lett. 2000 Apr 3;84(14):3153-6. doi: 10.1103/PhysRevLett.84.3153.

Abstract

We explore the properties of the bipolaron in a 1D Holstein-Hubbard model with dynamical quantum phonons. Using a recently developed variational method combined with analytical strong coupling calculations, we compute correlation functions, effective mass, bipolaron isotope effect, and the phase diagram. The two site bipolaron has a significantly reduced mass and isotope effect compared to the on-site bipolaron, and is bound in the strong coupling regime up to twice the Hubbard U naively expected. The model can be described in this regime as an effective t-J-V model with nearest neighbor repulsion. These are the most accurate bipolaron calculations to date.