MX chains: 1-D analog of CuO planes

Conference · Sun Jan 01 04:00:00 EST 1989

DOI:https://doi.org/10.1016/0921-4526(90)90240-U· OSTI ID:5589479

Gammel, J T; Batistic, I; Bishop, A R; Loh, Jr, E Y; Marianer, S

We study a two-band Peierls-Hubbard model for halogen-bridged mixed-valence transition metal linear chain complexes (MX chains). We include electron-electron correlations (both Hubbard and PPP-like expressions) using several techniques including calculations in the zero-hopping limit, exact diagonalization of small systems, mean field approximation, and a Gutzwiller-like Ansatz for quantum phonons. The adiabatic optical absorption and phonon spectra for both photo-excited and doping induced defects (kinks, polarons, bipolarons, and excitons) are discussed. A long period phase which occurs even at commensurate filling for certain parameter values may be related to twinning. The effect of including the electron-phonon in addition to the electron-electron interaction on the polaron/bipolaron (pairing) competition is especially interesting when this class of compounds is viewed as a 1-D analog of high-temperature superconductors. 6 refs., 4 figs.

• Research Organization: Los Alamos National Lab., NM (USA)
• Sponsoring Organization: DOE/ER
• DOE Contract Number: W-7405-ENG-36
• OSTI ID: 5589479
• Report Number(s): LA-UR-89-3336; CONF-890953--10; ON: DE90002438
• Country of Publication: United States
• Language: English

Related Subjects

656100* -- Condensed Matter Physics-- Superconductivity
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ABSORPTION SPECTRA
BAND THEORY
CHALCOGENIDES
COPPER COMPOUNDS
COPPER OXIDES
ELECTRIC CONDUCTIVITY
ELECTRICAL PROPERTIES
ELECTRON-ELECTRON COUPLING
ELECTRON-PHONON COUPLING
ENERGY LEVELS
ENERGY-LEVEL TRANSITIONS
EXCITATION
GROUND STATES
HAMILTONIANS
MATHEMATICAL OPERATORS
OXIDES
OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
POLARONS
QUANTUM OPERATORS
QUASI PARTICLES
SPECTRA
SUPERCONDUCTIVITY
TRANSITION ELEMENT COMPOUNDS