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WANG, WZ; SAXENA, A; BISHOP, AR; WANG, WZ , LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545, USA.
SYSTEMATIC STUDY OF THE VIBRATIONAL PROPERTIES OF POLY(PHENYLENE VINYLENE) AND RELATED OLIGOMERS
Source PublicationPHYSICAL REVIEW B
KeywordDetected Magnetic-resonance Trans-stilbene Poly(Para-phenylene Vinylene) Polyparaphenylene-vinylene Conjugated Polymers Optical-properties Crystal-structure Polyacetylene Spectra Poly(Paraphenylenevinylene)
AbstractWithin a two-dimensional Su-Schrieffer-Heeger-like Hamiltonian, the electronic and vibrational properties of poly(phenylene vinylene) (PPV) and its model oligomers are investigated systematically. The stable geometric and electronic configurations of this PPV series are determined within the Bogoliubov-de Gennes formalism, with good agreement with the observed variation of the electronic gap with chain length, and the observed spatial extent of the nonlinear excitations (polarons, bipolarons, etc.). The dynamics of lattice relaxation subsequent to electron doping is also analyzed, and suggests relatively weak e-ph coupling in this system. The two-dimensional vibrational spectra of the PPV series have been obtained in the random-phase and frozen-phonon approximations, and certain doping-induced localized modes are identified to be either ir or Raman active. The ir, Raman, and resonant Raman spectra of the pristine and charged PPV series are calculated and compared carefully with corresponding experiments, with overall good agreement.
1994
ISSN0163-1829
Volume50Issue:9Pages:6068-6076
Subject AreaPhysics
Indexed BySCI
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Cited Times:13[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.itp.ac.cn/handle/311006/11861
Collection理论物理所科研产出_SCI论文
Corresponding AuthorWANG, WZ , LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545, USA.
Recommended Citation
GB/T 7714
WANG, WZ,SAXENA, A,BISHOP, AR,et al. SYSTEMATIC STUDY OF THE VIBRATIONAL PROPERTIES OF POLY(PHENYLENE VINYLENE) AND RELATED OLIGOMERS[J]. PHYSICAL REVIEW B,1994,50(9):6068-6076.
APA WANG, WZ,SAXENA, A,BISHOP, AR,&WANG, WZ , LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545, USA..(1994).SYSTEMATIC STUDY OF THE VIBRATIONAL PROPERTIES OF POLY(PHENYLENE VINYLENE) AND RELATED OLIGOMERS.PHYSICAL REVIEW B,50(9),6068-6076.
MLA WANG, WZ,et al."SYSTEMATIC STUDY OF THE VIBRATIONAL PROPERTIES OF POLY(PHENYLENE VINYLENE) AND RELATED OLIGOMERS".PHYSICAL REVIEW B 50.9(1994):6068-6076.
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