Local vibronic and electronic excitations of doping-induced states in the copper oxides

Conference · Wed Jan 01 04:00:00 EST 1992

OSTI ID:6973258

Yonemitsu, K; Bishop, A R ^[1]; Lorenzana, J ^[2]

---

1. Los Alamos National Lab., NM (United States)
2. International School for Advanced Studies, Trieste (Italy)

Doping states in the copper oxides are investigated in a two-dimensional, three-band Peierls-Hubbard model. We consider displacements of planar O atoms along the Cu-O bonds, and focus on intersite electron-phonon interactions modifying the hopping integral between the Cu and O orbitals. Hartree-Fock configurations of polaronic states in the antiferromagnetic background are sensitively affected by weak electron-phonon interaction. Vibronic and optical excitation spectra, obtained with the random phase approximation, contain doping-induced structures caused by excitation modes localized around the polarons. A dimensionless strength of the electron-phonon interaction is deduced from a comparison with recent generalized inhomogeneous LDA calculations. The nature of doping states is quite different from that described within purely electronic, Hubbard and t-J models.

• Research Organization: Los Alamos National Lab., NM (United States)
• Sponsoring Organization: DOE; USDOE, Washington, DC (United States)
• DOE Contract Number: W-7405-ENG-36
• OSTI ID: 6973258
• Report Number(s): LA-UR-92-3808; CONF-9211133--1; ON: DE93003844
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360204* -- Ceramics
Cermets
& Refractories-- Physical Properties
ANTIFERROMAGNETISM
CALCULATION METHODS
CHALCOGENIDES
COPPER COMPOUNDS
COPPER OXIDES
COUPLING
CRYSTAL DOPING
ELECTRON-PHONON COUPLING
ELECTRONIC STRUCTURE
ENERGY-LEVEL TRANSITIONS
EXCITATION
HARTREE-FOCK METHOD
HOLES
MAGNETISM
OXIDES
OXYGEN COMPOUNDS
POLARONS
QUASI PARTICLES
TRANSITION ELEMENT COMPOUNDS