Pregled bibliografske jedinice broj: 239924
An extended Peierls-Hubbard model of halogen-bridged transition metal chain complexes
An extended Peierls-Hubbard model of halogen-bridged transition metal chain complexes // Molecular Crystals and Liquid Crystals, 216 (1992), 241-245 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 239924 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
An extended Peierls-Hubbard model of halogen-bridged transition metal chain complexes
Autori
Bishop, Alan R. ; Batistić, Ivo ; Gammel, Tinka Jan ; Saxena, Avadh B.
Izvornik
Molecular Crystals and Liquid Crystals (1058-725X) 216
(1992);
241-245
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
inter-site coupling; IR spectra; Raman spectra; ESR; adiabatic molecular dynamics; extended Peierls-Hubbard model; halogen-bridged transition metal chain complexes
Sažetak
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.
Izvorni jezik
Engleski
Znanstvena područja
Fizika
Citiraj ovu publikaciju:
Časopis indeksira:
- Current Contents Connect (CCC)
- Web of Science Core Collection (WoSCC)
- SCI-EXP, SSCI i/ili A&HCI
- Scopus
Uključenost u ostale bibliografske baze podataka::
- The INSPEC Science Abstracts series
