Mobile bipolarons in the adiabatic Holstein-Hubbard model in one and two dimensions

DOI10.1016/S0167-2789(97)00283-2zbMATH Open0965.81506arXivcond-mat/0004415MaRDI QIDQ1963809FDOQ1963809

S. Aubry, Laurent Proville

Publication date: 8 February 2000

Published in: Physica D (Search for Journal in Brave)

Abstract: The bound states of two electrons in the adiabatic Holstein-Hubbard model are studied numerically in one and two dimensions from the anticontinuous limit. This model involves a competition between a local electron-phonon coupling (with a classical lattice) which tends to form pairs of electrons and the repulsive Hubbard interaction $Ugeq0$ which tends to break them. In 1D, the ground-state always consists in a pair of localized polarons in a singlet state. They are located at the same site for U=0. Increasing U, there is a first order transition at which the bipolaron becomes a spin singlet pair of two polarons bounded by a magnetic interaction. The pinning mode of the bipolaron soften in the vicinity of this transition leading to a higher mobility of the bipolaron which is tested numerically. In 2D, and for any $U$, the electron-phonon coupling needs to be large enough in order to form small polarons or bipolarons instead of extended electrons. We calculate the phase diagram of the bipolaron involving first order transitions lines with a triple point. A pair of polarons can form three types of bipolarons: a) on a single site at small $U$, b) a spin singlet state on two nearest neighbor sites for larger $U$ as in 1D and c) a new intermediate state obtained as the resonant combination of four 2-sites singlet states sharing a central site, called quadrisinglet. The breathing and pinning internal modes of bipolarons in 2D generally only weakly soften and thus, they are practically not mobile. On the opposite, in the vicinity of the triple point involving the quadrisinglet, both modes exhibit a significant softening. However, it was not sufficient for allowing the existence of a classical mobile bipolaron (at least in that model).

Full work available at URL: https://arxiv.org/abs/cond-mat/0004415

zbMATH Keywords

pinningbreathinganticontinuous limitadiabatic Holstein-Hubbard modellocal electron-phonon coupling

Mathematics Subject Classification ID

Many-body theory; quantum Hall effect (81V70) Statistical mechanics of solids (82D20)

Cites Work

• Proof of existence of breathers for time-reversible or Hamiltonian networks of weakly coupled oscillators
• The concept of anti-integrability applied to dynamical systems and to structural and electronic models in condensed matter physics
• Chaotic polaronic and bipolaronic states in the adiabatic Holstein model
• Improved proof of existence of chaotic polaronic and bipolaronic states for the adiabatic Holstein model and generalizations

Cited In (5)

• Improved proof of existence of chaotic polaronic and bipolaronic states for the adiabatic Holstein model and generalizations
• Spontaneously localized electron states in a discrete anisotropic two-dimensional lattice
• Bipolaron phase diagram of the 1D adiabatic Holstein--Hubbard model in the strong coupling limit
• Mobility and reactivity of discrete breathers
• Chaotic polaronic and bipolaronic states in the adiabatic Holstein model

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