Electronic confinement in quasi-one-dimensional triblock copolymers
Liu De-Sheng (刘德胜)abc, Wang Lu-Xia (王鹿霞)a, Xie Shi-Jie (解士杰)ac, Han Sheng-Hao (韩圣浩)ac, Mei Liang-Mo (梅良模)ac
a School of Physics and Microelectronics, Shandong University, Jinan 250100, China; b Department of Physics, Jining Normal University, Jining 272025, China; c State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, China
Abstract A tight-binding calculation to describe the triblock copolymer xPA(polyacetylene)/nPPP (poly(p-phenylene))/yPA or xPPP/nPA/yPPP is presented. The interfacial coupling between homopolymer segments is attributed to the hopping of $\pi$-electrons and the coupling of $\sigma$-bonds. The dependence of the band gap of triblock copolymers on the interfacial couplings or on the composite segment lengths is studied. The influence of composite segment lengths on the electron density is also studied. For nPPP/xPA/nPPP structures, the band gap varies with PA segment length over a wide range of 1.32－2.74eV. For nPA/xPPP/nPA structures,the band gap is invariant with PPP segment length. It is found that a spontaneous tunnelling phenomenon could take place in nPA/xPPP/nPA structures. Furthermore, the polaron caused by doping an electron into nPA/xPPP/nPA will tend to be confined in one of the well (PA) parts. This kind of confinement may increase the electron－hole recombination probability.
Received: 29 November 2002
Revised: 29 January 2003
Accepted manuscript online:
Fund: Project supported by the Major Program of the National Natural Science Foundation of China (Grant No 90103034), and the National Natural Science Foundation of China (Grant Nos 10074040 and 60176021).
Cite this article:
Liu De-Sheng (刘德胜), Wang Lu-Xia (王鹿霞), Xie Shi-Jie (解士杰), Han Sheng-Hao (韩圣浩), Mei Liang-Mo (梅良模) Electronic confinement in quasi-one-dimensional triblock copolymers 2003 Chinese Physics 12 548
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