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Strong correlations, frozen-phonons and double-well potential in theCuOchains ofYBa2Cu3O7− δ: An exact diagonalization approach

Authors
Journal
Solid State Communications
0038-1098
Publisher
Elsevier
Publication Date
Volume
90
Issue
1
Identifiers
DOI: 10.1016/0038-1098(94)90954-7
Disciplines
  • Physics

Abstract

Abstract We studied the infrared and Raman modes in the Cu  O chain of the system Y Ba 3 O 7− δ by means of a Peierls-Hubbard model. We performed an exact Lanczos-diagonalization on a [ Cu 2  O 6] cluster (2-cells in the chain including two pex-oxygen ions per unit cell). In contrast to previous calculations, we found that the electronic correlations combined with dynamical phonons are not crucial for the existence of double-well potential in the system. We also discuss the importance of the coupling between the planes and the chains as well as the magnitude of the electron-phonon coupling.

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