Magnetism and covalency in the two-dimensional three-band Peierls-Hubbard model

1 April 1993

journal article
research article
Published by American Physical Society (APS) in Physical Review B

Vol. 47 (13) , 8065-8075
https://doi.org/10.1103/physrevb.47.8065

Abstract

Stoichiometric phases and doping states are studied in a two-dimensional, three-band extended Peierls-Hubbard model, using an inhomogeneous Hartree-Fock approximation. Magnetism and covalency are investigated in a parameter space of strong intersite electron-lattice coupling and varying on-site electron-electron repulsion strength. In a crossover region between a charge-density-wave phase driven by intersite electron-lattice coupling and an antiferromagnetic phase driven by on-site electron-electron repulsion, a bond-order-wave state, a spin-Peierls state, and a mixed state of spin-Peierls bonds and antiferromagnetic spins are found to be stable and caused by competing magnetism and covalency of different relative strengths. Doping states depend qualitatively upon the nature of these global phases. In particular, separation of spin and charge is observed in the background of the bond-order-wave state as a consequence of local competition between magnetism and covalency.

Keywords

This publication has 23 references indexed in Scilit:

Dynamics of an excited electron in a cuprate antiferromagnet
Physical Review Letters, 1991
Transient photoinduced conductivity in single crystals of ${YBa}_{2}$ ${Cu}_{3}$ $O_{6.3}$ : ‘‘Photodoping’’ to the metallic state
Physical Review Letters, 1991
Dynamics of Photogenerated Charge Carriers in Cuprates
Physical Review Letters, 1991
Static and dynamic spin fluctuations in superconducting ${La}_{2 - x} {Sr}_{x} Cu O_{4}$
Physical Review B, 1989
Orientation of the $O 2 p$ holes in ${Bi}_{2}$ ${Sr}_{2}$ ${Ca}_{1}$ ${Cu}_{2}$ $O_{8}$
Physical Review B, 1988
Antiferromagnetic spin correlations in insulating, metallic, and superconducting ${La}_{2 - x} {Sr}_{x} Cu O_{4}$
Physical Review B, 1988
Evidence for holes on oxygen sites in the high- $T_{c}$ superconductors ${La}_{2 - x}$ ${Sr}_{x}$ ${CuO}_{4}$ and ${YBa}_{2}$ ${Cu}_{3}$ $O_{7 - y}$
Physical Review B, 1988
Two-dimensional antiferromagnetic quantum spin-fluid state in ${La}_{2}$ ${CuO}_{4}$
Physical Review Letters, 1987
Antiferromagnetism of ${La}_{2}$ ${CuO}_{4 - y}$ studied by muon-spin rotation
Physical Review Letters, 1987
Antiferromagnetism in ${La}_{2}$ ${CuO}_{4 - y}$
Physical Review Letters, 1987