Dynamics and photoexcitation in MX and MXX[prime] chain solids

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

OSTI ID:6916460

Gammel, J T ^[1]; Saxena, A; Bishop, A R ^[2]

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1. Naval Command, Control and Ocean Surveillance Center, San Diego, CA (United States)
2. Los Alamos National Lab., NM (United States)

Nonlinear adiabatic dynamics associated with nonlinear excitations in MX and MXX' chain materials are numerically studied within a discrete, 3/4-filled, two-band, tight-binding extended Peierls-Hubbard model. Both Hartree-Fock (HF) adiabatic molecular relaxation and molecular dynamics techniques are employed to investigate the time evolution of solitons, polarons, bipolarons in charge-density-wave (CDW), bond-order-wave (BOW) and spin-density-wave (SDW) ground state materials. Photoexcitations are performed between (i) continuum levels, (ii) localized levels, (iii) continuum and localized levels. The subsequent formation and time evolution of excitons, defect pairs, breathers, and, for the MXX' solids, charge separation are studied in terms of energy levels and distortion patterns. These results are compared with the dynamics of previously studied 1/2-filled, one-band, SSH-type electron-phonon models, used for studying polyenes and polyynes, and experimental data.

• Research Organization: Los Alamos National Lab., NM (United States)
• Sponsoring Organization: DOE; DOD; USDOE, Washington, DC (United States); Department of Defense, Washington, DC (United States)
• DOE Contract Number: W-7405-ENG-36
• OSTI ID: 6916460
• Report Number(s): LA-UR-92-3237; CONF-9208132--3; ON: DE93003691
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360104 -- Metals & Alloys-- Physical Properties
665400* -- Quantum Physics Aspects of Condensed Matter-- (1992-)
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
BROMIDES
BROMINE COMPOUNDS
COLLISIONS
CRYSTAL MODELS
ENERGY LEVELS
ENERGY-LEVEL TRANSITIONS
EXCITATION
HALIDES
HALOGEN COMPOUNDS
HUBBARD MODEL
IODIDES
IODINE COMPOUNDS
MATHEMATICAL MODELS
NONLINEAR PROBLEMS
PHOTON COLLISIONS
PLATINUM BROMIDES
PLATINUM COMPOUNDS
PLATINUM IODIDES
SOLIDS
SPIN WAVES
TRANSITION ELEMENT COMPOUNDS