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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
发表期刊PHYSICAL REVIEW B
关键词Detected Magnetic-resonance Trans-stilbene Poly(Para-phenylene Vinylene) Polyparaphenylene-vinylene Conjugated Polymers Optical-properties Crystal-structure Polyacetylene Spectra Poly(Paraphenylenevinylene)
摘要Within 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
卷号50期号:9页码:6068-6076
学科领域Physics
收录类别SCI
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文献类型期刊论文
条目标识符http://ir.itp.ac.cn/handle/311006/11861
专题理论物理所科研产出_SCI论文
通讯作者WANG, WZ , LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545, USA.
推荐引用方式
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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