SYSTEMATIC STUDY OF THE VIBRATIONAL PROPERTIES OF POLY(PHENYLENE VINYLENE) AND RELATED OLIGOMERS

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	SYSTEMATIC STUDY OF THE VIBRATIONAL PROPERTIES OF POLY(PHENYLENE VINYLENE) AND RELATED OLIGOMERS
	WANG, WZ; WANG, WZ , LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545, USA.; SAXENA, A; BISHOP, AR
刊名	PHYSICAL REVIEW B
	1994
卷号	50 期号:9 页码:6068-6076
关键词	Detected Magnetic-resonance Trans-stilbene Poly(Para-phenylene Vinylene) Polyparaphenylene-vinylene Conjugated Polymers Optical-properties Crystal-structure Polyacetylene Spectra Poly(Paraphenylenevinylene)
ISSN号	0163-1829
英文摘要	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.
学科主题	Physics
URL标识	查看原文
WOS记录号	WOS:A1994PG28500031
公开日期	2012-08-29
内容类型	期刊论文
源URL	[http://ir.itp.ac.cn/handle/311006/11861]
专题	理论物理研究所_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.
推荐引用方式 GB/T 7714	WANG, WZ,WANG, WZ , LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545, USA.,SAXENA, A,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,WANG, WZ , LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545, USA.,SAXENA, A,&BISHOP, AR.(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.