Physics – Condensed Matter – Strongly Correlated Electrons
Scientific paper
2003-02-11
Phys. Rev. B 67, 245103 (2003)
Physics
Condensed Matter
Strongly Correlated Electrons
7 pages, 5 figures
Scientific paper
10.1103/PhysRevB.67.245103
We report quantum Monte Carlo (stochastic series expansion) results for the transition from a Mott insulator to a dimerized Peierls insulating state in a half-filled, 1D extended Hubbard model coupled to optical bond phonons. Using electron-electron (e-e) interaction parameters corresponding approximately to polyacetylene, we show that the Mott-Peierls transition occurs at a finite value of the electron-phonon (e-ph) coupling. We discuss several different criteria for detecting the transition and show that they give consistent results. We calculate the critical e-ph coupling as a function of the bare phonon frequency and also investigate the sensitivity of the critical coupling to the strength of the e-e interaction. In the limit of strong e-e couplings, we map the model to a spin-Peierls chain and compare the phase boundary with previous results for the spin-Peierls transition. We point out effects of a nonlinear spin-phonon coupling neglected in the mapping to the spin-Peierls model.
Campbell David K.
Sandvik Sengupta A. P. W.
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