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SYSTEMATIC STUDY OF THE VIBRATIONAL PROPERTIES OF POLY(PHENYLENE VINYLENE) AND RELATED OLIGOMERS
WANG, WZ; SAXENA, A; BISHOP, AR; WANG, WZ , LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545, USA.
1994
发表期刊PHYSICAL REVIEW B
ISSN0163-1829
卷号50期号:9页码:6068-6076
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.
部门归属CHINESE ACAD SCI,INST THEORET PHYS,BEIJING 100080,PEOPLES R CHINA
关键词Detected Magnetic-resonance Trans-stilbene Poly(Para-phenylene Vinylene) Polyparaphenylene-vinylene Conjugated Polymers Optical-properties Crystal-structure Polyacetylene Spectra Poly(Paraphenylenevinylene)
学科领域Physics
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收录类别SCI
WOS记录号WOS:A1994PG28500031
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被引频次:13[WOS]   [WOS记录]     [WOS相关记录]
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1978-2010年知识产出
通讯作者WANG, WZ , LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545, USA.
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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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