Light and stable triplet bipolarons on square and triangular lattices

Hague, J. P. and Kornilovitch, P. E. (2010). Light and stable triplet bipolarons on square and triangular lattices. Physical Review B, 82(9) 094301.

DOI: https://doi.org/10.1103/PhysRevB.82.094301

Abstract

We compute the properties of singlet and triplet bipolarons on two-dimensional lattices using the continuous-time quantum Monte Carlo algorithm. Properties of the bipolaron including the total energy, inverse mass, bipolaron radius, and number of phonons associated with the bipolaron demonstrate the qualitative difference between models of electron-phonon interaction with long-range interaction (screened Fröhlich) and those with purely local (Holstein) interaction. A major result of our survey of the parameter space is the existence of extra-light hybrid singlet bipolarons consisting of an on-site and an off-site component on both square and triangular lattices. We also compute triplet properties of the bipolarons and the pair dispersion. For pair momenta on the edge of the Brillouin zone of the triangular lattice, we find that triplet states are more stable than singlets.

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