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Phys. Rev. B 60, 7950–7955 (1999)

Metal-insulator transition in the one-dimensional Holstein model at half filling

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Eric Jeckelmann*, Chunli Zhang, and Steven R. White
Department of Physics and Astronomy, University of California, Irvine, California 92697

Received 10 March 1999; published in the issue dated 15 September 1999

We study the one-dimensional Holstein model with spin-1/2 electrons at half filling. Ground-state properties are calculated for long chains with great accuracy using the density-matrix renormalization-group method and extrapolated to the thermodynamic limit. We show that for small electron-phonon coupling or large phonon frequency, the insulating Peierls ground state predicted by mean-field theory is destroyed by quantum lattice fluctuations and that the system remains in a metallic phase with a nondegenerate ground state and power-law electronic and phononic correlations. When the electron-phonon coupling becomes large or the phonon frequency small, the system undergoes a transition to an insulating Peierls phase with a twofold degenerate ground state, long-range charge-density-wave order, a dimerized lattice structure, and a gap in the electronic excitation spectrum.

© 1999 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.60.7950
DOI:
10.1103/PhysRevB.60.7950
PACS:
71.30.+h, 71.38.+i, 71.10.Pm, 63.20.Kr

*Present address: AG Vielteilchentheorie, Fachbereich Physik, Philipps-Universität Marburg, D-35032 Marburg, Germany.