The polaron and bipolaron states of poly(phenylene vinylene)

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	The polaron and bipolaron states of poly(phenylene vinylene)
	K. L. Yao; S. E. Han; L. Zhao
	2001
发表期刊	Journal of Chemical Physics
ISSN	0021-9606
卷号	114 期号:14 页码:6437-6442
摘要	We utilize the Pariser-Parr-Pople model for poly (phenylene vinylene) (PPV) and take into account the realistic lattice structures of PPV considering the electron-electron and the electron-phonon interactions so that we can expose the subtle electronic and the lattice structures of PPV. We find that the lattice deformation is mainly in the vinylene group, and we also discuss the spin density waves of polaron and the charge density waves of polaron and bipolaron. The spin density wave is modulated by charge density wave. The competition between polaron and bipolaron are studied. We find that when the electron-phonon interaction lambda <0.21 and the intersite electron-electron interaction v is comparably small, v favors the polaron. When lambda >0.21, v favors the bipolaron. (C) 2001 American Institute of Physics.
部门归属	huazhong univ sci & technol, dept phys, wuhan 430074, peoples r china. huazhong univ sci & technol, state key lab laser technol, wuhan 430074, peoples r china. acad sinica, int ctr mat phys, shenyang 110015, peoples r china.;yao, kl (reprint author), huazhong univ sci & technol, dept phys, wuhan 430074, peoples r china
关键词	Conjugated Polymers Poly(Para-phenylene Vinylene) Poly(P-phenylene Vinylene) Ground-state Absorption Exciton Polyacetylene Model Polypyrrole Singlet
URL	查看原文
WOS记录号	WOS:000167745500053
引用统计	被引频次：8[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/36877
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	K. L. Yao,S. E. Han,L. Zhao. The polaron and bipolaron states of poly(phenylene vinylene)[J]. Journal of Chemical Physics,2001,114(14):6437-6442.
APA	K. L. Yao,S. E. Han,&L. Zhao.(2001).The polaron and bipolaron states of poly(phenylene vinylene).Journal of Chemical Physics,114(14),6437-6442.
MLA	K. L. Yao,et al."The polaron and bipolaron states of poly(phenylene vinylene)".Journal of Chemical Physics 114.14(2001):6437-6442.