Bipolarons from long range interactions: Singlet and triplet pairs in the screened Hubbard-Froehlich model on the chain

Details Bipolarons from long range interactions: Singlet and triplet pairs in the screened Hubbard-Froehlich model on the chain Bipolarons from long range interactions: Singlet and triplet pairs in the screened Hubbard-Froehlich model on the chain

2009-04-23

arxiv.org/abs/0904.3678v1

Phys. Rev. B 80, 054301 (2009)

Physics

Condensed Matter

Strongly Correlated Electrons

20 pages, 17 figures

Scientific paper

10.1103/PhysRevB.80.054301

We present details of a continuous-time quantum Monte-Carlo algorithm for the screened Hubbard-Froehlich bipolaron. We simulate the bipolaron in one dimension with arbitrary interaction range in the presence of Coulomb repulsion, computing the effective mass, binding energy, total number of phonons associated with the bipolaron, mass isotope exponent and bipolaron radius in a comprehensive survey of the parameter space. We discuss the role of the range of the electron-phonon interaction, demonstrating the evolution from Holstein to Froehlich bipolarons and we compare the properties of bipolarons with singlet and triplet pairing. Finally, we present simulations of the bipolaron dispersion. The band width of the Froehlich bipolaron is found to be broad, and the decrease in bandwidth as the two polarons bind into a bipolaron is found to be far less rapid than in the case of the Holstein interaction. The properties of bipolarons formed from long range electron-phonon interactions, such as light strongly bound bipolarons and intersite pairing when Coulomb repulsion is large, are found to be robust against screening, with qualitative differences between Holstein and screened Froehlich bipolarons found even for interactions screened within a single lattice site.

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