An extended Peierls-Hubbard model of halogen-bridged transition metal chain complexes (CROSBI ID 121796)
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Podaci o odgovornosti
Bishop, Alan R. ; Batistić, Ivo ; Gammel, Tinka Jan ; Saxena, Avadh B.
engleski
An extended Peierls-Hubbard model of halogen-bridged transition metal chain complexes
Model calculations are described for both pure (MX) and mixed-halide (MX<sub>x</sub>X`<sub>1-x</sub>) halogen (X)-bridged transition metal (M) linear chain complexes in terms of an extended Peierls-Hubbard, tight-binding Hamiltonian with 3/4-filling of two-bands. Both inter- and intra-site electron-pho non coupling are included as well as various electron correlations. Calculated properties include electronic (optical absorption), lattice dynamics (IR, Raman) and spin (ESR) signatures for the ground states, localized excited states produced by impurities, doping or photoexcitation-excitons, polarons, bipolarons, solitons ; and the edge states (which occur in mixed-halide crystals, e.g. PtCl_xBr_{; ; 1-x}; ; ). Adiabatic molecular dynamics is used to explore photodecay channels.
inter-site coupling; IR spectra; Raman spectra; ESR; adiabatic molecular dynamics; extended Peierls-Hubbard model; halogen-bridged transition metal chain complexes
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Podaci o izdanju
216
1992.
241-245-x
objavljeno
1058-725X