链间耦合对极化子非弹性散射性质的影响

邸冰; 王亚东; 张亚琳

doi:10.7498/aps.62.107202

摘要

基于一维紧束缚的Su-Schreiffer-Heeger模型, 采用非绝热动力学方法, 研究了链间耦合对聚合物中极化子对非弹性散射性质的影响: 激子的产生依赖于链间耦合, 随着耦合强度的增加, 正负极化子对的电子波函数交叠增强, 利于提高激子的产率; 当耦合区域是极化子的宽度时, 正负极化子对波函数的耦合最充分、耦合最强, 电荷跃迁更容易, 激子产率最大.

关键词:

聚合物 /
极化子 /
激子

Within an one-dimensional tight-binding Su-Schreiffer-Heeger model, we investigate the effect of interchain coupling on inelastic scattering of oppositely charged polarons in conjugated polymer by using a nonadiabatic evolution method. It is found that the yield of the neutral exciton depends sensitively on the interchain coupling. The yield of the neutral exciton increases with the enhancement of overlapping which can make the wave functions of oppositely charged polarons more largely overlapped. The formation yield of excitons also increases with the number of overlapping sites increasing to its maximum value, where the length of overlapping sites is almost of the same order of magnitude as the width of the polaron, the reason is that the number of overlapping sites can affect the overlap of oppositely charged polaron wave functions. In turn, the charge transfer between them depends on the overlap of their wave functions. Therefore, when the size of overlapping sites is almost of the same order of magnitude as the width of the polaron, their wave functions have a largest overlap, thereby making charge transfer more easily. So the yield of excitons has the largest value.

Keywords:

polymers /
polarons /
exciton

作者及机构信息

1.
河北师范大学物理科学与信息工程学院, 河北省新型薄膜材料实验室, 石家庄 050024;

2.
张家口职业技术学院, 张家口 075051

基金项目: 国家自然科学基金(批准号: 11074064)、教育部科学技术研究重点项目基金(批准号: 210021)和河北省自然科学基金(批准号: A2010000357)资助的课题.

Authors and contacts

1.
College of Physics, Hebei Advanced Thin Films Laboratory, Hebei Normal University, Shijiazhuang 050016, China;

2.
Zhangjiakou Vocational and Technical College, Zhangjiakou 075051, China

Funds: Project supported by the National Natural Science Foundation of China (Grant No. 11074064), the Foundation for Key Program of Ministry of Education, China (Grant No. 210021), and the Natural Science Foundation of Hebei Province, China (Grant No. A2010000357).

参考文献

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[2]	Cao Y, Parker L D, Yu G, Zhang C, Heeger A J 1999 Nature 397 414
[3]	Shuai Z, Beoljonne D, Silbey R J, Bredas J L 2000 Phys. Rev. Lett. 84 131
[4]	Ye A, Shuai Z, Bredas J L 2002 Phys. Rev. B 65 5208
[5]	Wohlgenannt M, Tandon K, Mazumdar S, Ramasesha S, Vardeny Z V 2001 Nature 409 494
[6]	Baldo M A, O'Brien D F, Thompson M E, Forrest S R 1999 Phys. Rev. B 60 14422
[7]	Friend R H, Bradley D D D, Dos Santos D A, Bredas J L, Logdlund M, Salanech W R 1999 Nature 397 121
[8]	Wohlgenannt M, Jiang X M, Vardeny Z V, Janssen R A 2002 J. Phys. Rev. Lett. 88 197401
[9]	Sun Z, Li Y, Gao K, Liu D S, An Z, Xie S J 2010 Organic Electron. 11 279
[10]	Sun Z, Li Y, Xie S J, An Z, Liu D S 2009 Phys. Rev. B 79 201310
[11]	Meng Y, Liu X J, Di B, An Z 2009 J. Chem. Phys. 131 244502
[12]	Li S, Tong G P, George T F 2009 J. Appl. Phys. 106 074513
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[14]	Liu W, Li Y, Qu Z, Gao K, Yin S, Liu D S 2009 Chin. Phys. Lett. 26 037101
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[19]	An Z, Di B, Zhao H, Wu C Q 2008 Eur. Phys. J. B 63 71
[20]	Di B, Meng Y, Wang Y D, Liu X J, An Z 2011 J. Phys. Chem. B 115 964
[21]	Di B, Meng Y, Wang Y D, Liu X J, An Z 2011 J. Phys. Chem. B 115 9339
[22]	Baeriswyl D, Maki K 1988 Phys. Rev. B 38 8135
[23]	Blackman J A, Sabra M K 1993 Phys. Rev. B 47 15437
[24]	Liu W, Li H H, Liu D S 2010 Acta Phys. Sin. 59 6405 (in Chinese) [刘文, 李海宏, 刘德胜 2010 59 6405]
[25]	Johansson Å, Stafström S 2001 Phys. Rev. Lett. 86 3602
[26]	Johansson Å, Stafström S 2002 Phys. Rev. B 66 085208
[27]	Meng Y, Di B, Liu X J, An Z, Wu C Q 2008 J. Chem. Phys. 128 184903
[28]	Meng Y, An Z 2010 Eur. Phys. J. B 74 313
[29]	Su W P, Schrieffer J R, Heeger A J 1979 Phys. Rev. Lett. 42 1698
[30]	Su W P, Schrieffer J R, Heeger A J 1980 Phys. Rev. B 22 2099
[31]	Takayama H, Lin-Liu Y R, Maki K 1980 Phys. Rev. B 21 2388
[32]	Brankin R W, Gladwell I, Shampine L F RKSUITE: Software for ODE IVPS (www.netlib.org) [2012-12-10]
[33]	An Z, Wu C Q, Sun X 2004 Phys. Rev. Lett. 93 216407

施引文献

[1]	Burroughes J H, Bradley D D C, Brown A R, Mark R N, Mackay K, Friend R H, Burns P L, Holmes A B 1990 Nature 347 539
[2]	Cao Y, Parker L D, Yu G, Zhang C, Heeger A J 1999 Nature 397 414
[3]	Shuai Z, Beoljonne D, Silbey R J, Bredas J L 2000 Phys. Rev. Lett. 84 131
[4]	Ye A, Shuai Z, Bredas J L 2002 Phys. Rev. B 65 5208
[5]	Wohlgenannt M, Tandon K, Mazumdar S, Ramasesha S, Vardeny Z V 2001 Nature 409 494
[6]	Baldo M A, O'Brien D F, Thompson M E, Forrest S R 1999 Phys. Rev. B 60 14422
[7]	Friend R H, Bradley D D D, Dos Santos D A, Bredas J L, Logdlund M, Salanech W R 1999 Nature 397 121
[8]	Wohlgenannt M, Jiang X M, Vardeny Z V, Janssen R A 2002 J. Phys. Rev. Lett. 88 197401
[9]	Sun Z, Li Y, Gao K, Liu D S, An Z, Xie S J 2010 Organic Electron. 11 279
[10]	Sun Z, Li Y, Xie S J, An Z, Liu D S 2009 Phys. Rev. B 79 201310
[11]	Meng Y, Liu X J, Di B, An Z 2009 J. Chem. Phys. 131 244502
[12]	Li S, Tong G P, George T F 2009 J. Appl. Phys. 106 074513
[13]	Rakhmanova S V, Conwell E M 2000 Synthetic Metals 110 37
[14]	Liu W, Li Y, Qu Z, Gao K, Yin S, Liu D S 2009 Chin. Phys. Lett. 26 037101
[15]	Song R, Liu X J, Wang Y D, Di B, An Z 2010 Acta Phys. Sin. 59 3461 (in Chinese) [宋瑞, 刘晓静, 王亚东, 邸冰, 安忠 2010 59 3461]
[16]	Di B, An Z, Li Y C, Wu C Q 2007 Eur. Phys. Lett. 79 17002
[17]	Di B, Meng Y, An Z, Li Y C 2008 Chin. Phys. Lett. 25 679
[18]	Wang L X, Zhang D C, Liu D S, Han S H, Xie S J 2003 Acta Phys. Sin. 52 2547 (in Chinese) [王鹿霞, 张大成, 刘德胜, 韩圣洁, 解士杰 2003 52 2547]
[19]	An Z, Di B, Zhao H, Wu C Q 2008 Eur. Phys. J. B 63 71
[20]	Di B, Meng Y, Wang Y D, Liu X J, An Z 2011 J. Phys. Chem. B 115 964
[21]	Di B, Meng Y, Wang Y D, Liu X J, An Z 2011 J. Phys. Chem. B 115 9339
[22]	Baeriswyl D, Maki K 1988 Phys. Rev. B 38 8135
[23]	Blackman J A, Sabra M K 1993 Phys. Rev. B 47 15437
[24]	Liu W, Li H H, Liu D S 2010 Acta Phys. Sin. 59 6405 (in Chinese) [刘文, 李海宏, 刘德胜 2010 59 6405]
[25]	Johansson Å, Stafström S 2001 Phys. Rev. Lett. 86 3602
[26]	Johansson Å, Stafström S 2002 Phys. Rev. B 66 085208
[27]	Meng Y, Di B, Liu X J, An Z, Wu C Q 2008 J. Chem. Phys. 128 184903
[28]	Meng Y, An Z 2010 Eur. Phys. J. B 74 313
[29]	Su W P, Schrieffer J R, Heeger A J 1979 Phys. Rev. Lett. 42 1698
[30]	Su W P, Schrieffer J R, Heeger A J 1980 Phys. Rev. B 22 2099
[31]	Takayama H, Lin-Liu Y R, Maki K 1980 Phys. Rev. B 21 2388
[32]	Brankin R W, Gladwell I, Shampine L F RKSUITE: Software for ODE IVPS (www.netlib.org) [2012-12-10]
[33]	An Z, Wu C Q, Sun X 2004 Phys. Rev. Lett. 93 216407

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