2003/09/16 by Zhongbing Huang, Z. B. Huang, Huang, Z. B. +5
Chemistry · Materials Science · Physics and Astronomy · #FOS: Physical sciences #Inorganic Fluorides and Related Compounds #Organic and Molecular Conductors Research #Physics of Superconductivity and Magnetism #Strongly Correlated Electrons (cond-mat.str-el) #cond-mat.str-el
paper · pdf · doi:10.48550/arxiv.cond-mat/0309380
5 pages, 5 figures
arxiv created 2003/09/16 · openalex publication_date 2003/09/16 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
Using the Quantum Monte Carlo (QMC) technique within frozen-phonon, we studied the effects of the half-breathing O(π,0) phonon mode on the ground-state properties of the three-band Peierls-Hubbard model. Our simulations are performed for both ionic and covalent electron-phonon couplings. The effects of lattice displacements on the ground-state energies and charge fluctuations are similar in magnitude for both hole- and electron-doped cases. However, the effects of lattice displacements on the magnetic properties are rather different. In the hole-doped case, the normalized next-nearest-neighbor Cu-Cu spin correlations are dramatically modified by both ionic and covalent electron-phonon couplings. On the other hand, in the electron-doped case, much smaller effects are observed. The distinct spin-phonon couplings, in conjunction with the spin-bag picture of the quasiparticle, could explain a strong mass renormalization effect in the p-type cuprates and a weaker effect in the n-type cuprates.