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碱式聚苯胺的高激发态极化子 被引量:1

Excited polaron in the pernigraniline-base polymer
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摘要 在改进的Ginder-Epstein模型下,得到了碱式聚苯胺的高激发态极化子.同普通极化子对比,它的晶格畸变更宽、更深,带隙中的两个缺陷能级更接近,其理论吸收谱只有一个低能峰(~1.2eV)并且强度提高~60%.取中等强度的电子—芳环扭角耦合,则高激发态极化子的激发能为17.75eV,较普通极化子的激发能提高1.22eV.这些差异为区分两类极化子提供了判据. Excited polaron in the pernigraniline-base polymer was investigated in an extended Ginder-Epstein model.In comparison with a common polaron,the excited showed some different nature:its lattice relaxasion was wider and deeper;the two gap levels got nearer.In our calculated absorbance for the excited polaron there was only one peak of low energy(~1.2 eV)and its intensity got a rise of ~60%.In the case of medium electron-libron coupling,energy of excitation for an excited polaron was 17.75 eV,which was 1.22 eV higher than that of the common.The facts offered a criterion to distinguish an excited polaron from a common one.
作者 李奎荣 刘杰
出处 《原子与分子物理学报》 CAS CSCD 北大核心 2009年第2期219-223,共5页 Journal of Atomic and Molecular Physics
基金 四川省教育厅自然科学重点项目(07ZA095)
关键词 聚合物 电子结构 缺陷能级 极化子 polymer electronic structure defect levels polaron
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  • 1[1]Su W P,Schrieffer J R,Heeger A J.Solitons in polyacetylene[J].Phys.Rev.Lett.,1979,42:1698
  • 2[3]Ginder M,Epstein A J.Role of ring torsion angle in polyaniline:Electronic structure and defect states[J].Phys.Rev.B,1990,41:10674
  • 3[4]Baranowski D,Büttner H,Voit J.Influence of libronic degrees of freedom on electronic properties of polyaniline[J].Phys.Rev.B,1992,45:10990
  • 4[5]Liu J,Zhang Y,Sun S J,et al.Molecular dynamics simulation of an exciton in polyaniline[J].Synth.Met.,2007,157:134
  • 5[6]Zhang Y,Liu J.Dynamical simulation of a combined polaron in pernigraline-base polymer[J].Synth.Met.,2005,151:73
  • 6[7]Liu J,Wu D C.Combind polarons in a pernigraniline-base polymer[J].Phys.Lett.A,1998,244:292
  • 7[8]Liu J.Local vibration around a ring-torsion soliton in polyaniline[J].J.Phys:Condense Matt.,1995,7:7
  • 8[9]Liu J,Wu D C.Bond-order solution associated with a ring-torsion soliton in PNB and its IRAV mode[J].Solid State commun.,1998,107:65
  • 9[10]Bao Z X,Liu C X,Kahol P K,et al.Pressure dependence of the resistance in polyaniline and its derivatives at room temperature[J].Synth.Met.,1999,106:107
  • 10[11]Pinto N J,Colon F,Bao Z X,et al.Pressure dependence of the resistance in polyaniline and poly(o-toluidine) at room temperature[J].Synth.Met.,1998,94:211

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  • 2Heerger A J, Kivelson S, Schrieffer J R, et al. Soli- tons in conducting polymers [J]. Rev. Mod. Phys. , 1988, 60:781.
  • 3Mizes H A, Conwell E M. stability of in conducting polymers [J]. Phys. Rev. Lett., 1993, 70:1505.
  • 4Rothberg L, Jedju T M, Townsend P D, etal. Fem- tosecond dynamics of photogenerated solitons and po- larons in trans-polyaeetylene [J]. Phys. Rev. Lett., 1990, 65:100.
  • 5Stafsrbm S, Chao K A. Polaron-bipolaron-soliton do- ping in polyacetylene [J]. Phys. Rev. B, 1984, 30: 2098.
  • 6Zhao H, Yao Y, An Z, et al. Dynamics of polarons in conjugated polymers.. An adaptive time-dependent density-matrix renormalization-group study [ J ]. Phys. Rev. B, 2008, 78.. 035209.
  • 7Ghosh S. Long-range interactions in the quantum many-body problem in one dimension: Ground state[J]. Phys. Rev. E, 25~:, 69.. 036118.
  • 8Guo A M. Long-range correlation and charge trans- fer efficiency in substitutional sequences of DNA molecules [ J]. Phys. Rev. E, 2007, 75: 061915.
  • 9Kuhl U, Izrailev F M, Krokhin A A. Enhancement of Localization in One-Dimensional Random Poten- tials with Long-Range Correlations[J ]. Phys. Rev. Lett., 2008, 100: 126402.
  • 10Stetcu I, Barrett B R, Navratil P, et al. Long- andshort-range correlations in the ab initio no-core shell model [J]. Phys. Rev. C, 2006, 73:037307.

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