Chin. Phys. Lett.  2015, Vol. 32 Issue (4): 047201    DOI: 10.1088/0256-307X/32/4/047201
CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
Electron Correlation Effects in Polaron-Pair Recombination in Conjugated Polymers
ZHAO Hong-Xia1, ZHAO Hui1**, CHEN Yu-Guang1, YAN Yong-Hong2
1Key Laboratory for Advanced Microstructure Materials of the Ministry of Education, and Department of Physics, Tongji University, Shanghai 200092
2Department of Physics, Shaoxing University, Shaoxing 312000
Cite this article:   
ZHAO Hong-Xia, ZHAO Hui, CHEN Yu-Guang et al  2015 Chin. Phys. Lett. 32 047201
Download: PDF(1038KB)  
Export: BibTeX | EndNote | Reference Manager | ProCite | RefWorks
Abstract Within a Su–Schriffer–Heeger model modified to include electron-electron interaction and an external electric field, we investigate the dynamics of oppositely charged polarons in a polymer chain in the presence of both electron-phonon and electron-electron interactions under the influence of an external electric field. We adopt a multi-configurational time-dependent Hartree–Fock method for the time-dependent Schr?dinger equation and the Newtonian equation of motion for a lattice. Our results show that the on-site Coulomb interaction is of fundamental importance and favors the recombination between the pairs of polarons, and the yield of excitons depends crucially on the strength of the on-site Coulomb interaction U. Furthermore, the influence of the nearest neighbor interaction V is also discussed.
Received: 30 October 2014      Published: 30 April 2015
PACS:  72.80.Le (Polymers; organic compounds (including organic semiconductors))  
  71.38.Ht (Self-trapped or small polarons)  
  72.25.Rb (Spin relaxation and scattering)  
TRENDMD:   
URL:  
https://cpl.iphy.ac.cn/10.1088/0256-307X/32/4/047201       OR      https://cpl.iphy.ac.cn/Y2015/V32/I4/047201
Service
E-mail this article
E-mail Alert
RSS
Articles by authors
ZHAO Hong-Xia
ZHAO Hui
CHEN Yu-Guang
YAN Yong-Hong
[1] Heeger A J 2001 Rev. Mod. Phys. 73 681
[2] Friend R H, Gymer R W, Holmes A B, Burroughes J H, Marks R, Taliani C, Bradley D D C, Santos D A D, Brédas J L, L?gdlund M and Salamecket W R 1999 Nature 397 121
[3] Yu G, Gao J, Hummelen J C, Wudl F and Heeger A J 1995 Science 270 1789
[4] Heeger A J, Kivelson S, Schrieffer J R and Su W P 1988 Rev. Mod. Phys. 60 781
[5] Barford W 2005 Electronic and Optical Properties of Conjugated Polymers (Oxford: Clarendon)
[6] Su W P, Schrieffer J R and Heeger A J 1979 Phys. Rev. Lett. 42 1698
[7] Su W P, Schrieffer J R and Heeger A J 1980 Phys. Rev. B 22 2099
[8] Brazovskii S A and Kirova N N 1981 Sov. Phys. JETP Lett. 33 4
[9] Burroughes J H, Bradley D D C, Brown A R, Marks R N, Mackay K, Friend R H, Burns P L and Holmes A B 1990 Nature 347 539
[10] Bradley D D C 1993 Synth. Met. 54 401
[11] Cao Y, Parker I, Yu G, Zhang C and Heeger A J 1999 Nature 397 414
[12] Ho P K H, Kim J S, Burroughes J H, Becker H, Li S F Y, Brown T M, Cacialli F and Friend R H 2000 Nature 404 481
[13] Wohlgenannt M, Tandon K, Mazumdar S, Ramasesha S and Vardeny Z V 2001 Nature 409 494
[14] Wohlgenannt M, Jiang X M, Vardeny Z V and Janssen R A J 2002 Phys. Rev. Lett. 88 197401
[15] Wilson J S, Dhoot A S, Seeley A J A B, Khan M S, K?hler A and Friend R H 2001 Nature 413 828
[16] Dhoot A S, Ginger D S, Beljonne D, Shuai Z and Greenham N C 2002 Chem. Phys. Lett. 360 195
[17] Sariciftci N S and Heeger A J 1997 Handbook Organic Conductive Molecules Polymers (New York: Wiley)
[18] Shuai Z, Beljonne D, Silbey R J and Bredas J L 2000 Phys. Rev. Lett. 84 131
[19] Beljonne D, Ye A, Shuai Z and Brédas J L 2004 Adv. Funct. Mater. 14 684
[20] Wohlgenannt M, Yang C and Vardeny Z V 2002 Phys. Rev. B 66 241201(R)
[21] Tandon K, Ramasesha S and Mazumdar S 2003 Phys. Rev. B 67 045109
[22] Johansson A A and Stafstr?m S 2002 Phys. Rev. B 65 045207
[23] Johansson A A and Stafstr?m S 2001 Phys. Rev. Lett. 86 3602
[24] Yu J F, Wu C Q, Sun X and Nasu K 2004 Phys. Rev. B 70 064303
[25] Rakhmanova S V and Conwell E M 1999 Appl. Phys. Lett. 75 1518
[26] Wu C Q, Qiu Y, An Z and Nasu K 2003 Phys. Rev. B 68 125416
[27] Yan Y H, An Z and Wu C Q 2004 Eur. Phys. J. B 42 157
[28] Di B, An Z, Li Y C and Wu C Q 2007 Europhys. Lett. 79 17002
[29] Ono Y and Terai A 1990 J. Phys. Soc. Jpn. 59 2893
[30] An Z, Wu C Q and Sun X 2004 Phys. Rev. Lett. 93 216407
[31] Sun Z, Li Y, Xie S J, An Z and Liu D S 2009 Phys. Rev. B 79 201310(R)
[32] Lu Q, Zhao H, Chen Y G and Yan Y H, Physica B 421 13
[33] An Z, Di B, Zhao H and Wu C Q 2008 Eur. Phys. J. B 63 71
[34] Li Y, Gao K, Sun Z, Yin S, Liu D S and Xie S J 2008 Phys. Rev. B 78 014304
[35] Lei J, Sun Z, Zhang Y B and Xie S J 2009 Org. Electron. 10 1489
[36] Zhao H, Chen Y G, Yan Y H, An Z and Wu C Q 2012 Europhys. Lett. 100 57005
[37] Miranda R P, Fisher A J, Stella L and Horsfield A P 2011 J. Chem. Phys. 134 244101
[38] Miranda R P, Fisher A J, Stella L and Horsfield A P 2011 J. Chem. Phys. 134 244102
[39] Meng Y, Liu X J, Di B and An Z 2009 J. Chem. Phys. 131 244502
[40] Sun Z, Li Y, Gao K, Liu D S, An Z and Xie S J 2010 Org. Electron. 11 279
Related articles from Frontiers Journals
[1] Sai Jiang, Lichao Peng, Xiaosong Du, Qinyong Dai, Jianhang Guo, Jianhui Gu, Jian Su, Ding Gu, Qijing Wang, Huafei Guo, Jianhua Qiu, and Yun Li. Large-Area Monolayer n-Type Molecular Semiconductors with Improved Thermal Stability and Charge Injection[J]. Chin. Phys. Lett., 2023, 40(3): 047201
[2] Yanjing Tang, Xianxi Yu, Shaobo Liu, Anran Yu, Jiajun Qin, Ruichen Yi, Yuan Pei, Chunqin Zhu, Xiaoyuan Hou. Hole Injection Enhancement of MoO$_{3}$/NPB/Al Composite Anode[J]. Chin. Phys. Lett., 2019, 36(12): 047201
[3] Ning-Ning Chen, Wan-Yi Tan, Dong-Yu Gao, Jian-Hua Zou, Jun-Zhe Liu, Jun-Biao Peng, Yong Cao, Xu-Hui Zhu. BiPh-$m$-BiDPO as a Hole-Blocking Layer for Organic Light-Emitting Diodes: Revealing Molecular Structure-Properties Relationship[J]. Chin. Phys. Lett., 2017, 34(7): 047201
[4] Rong-Hui Quan, Kai Zhou, Mei-Hua Fang, Wei-Ying Chi, Zhen-Long Zhang. Fast Measurement of Dielectric Conductivity for Space Application by Surface Potential Decay Method[J]. Chin. Phys. Lett., 2017, 34(6): 047201
[5] Min-Nan Guo, Shao-Wei Liu, Na Guo, Li-Ying Yang, Wen-Jing Qin, Shou-Gen Yin. Performance and Stability of Polymer Solar Cells Based on the Blends of Poly(3-Hexylthiophene) and Indene-C$_{60}$ Bis-Adduct[J]. Chin. Phys. Lett., 2016, 33(07): 047201
[6] Yuan-Yuan Hou, Jiang-Hong Li, Xiao-Xiang Ji, Ya-Feng Wu, Wei Fan, Igbari Femi. Highly Efficient and Stable Hybrid White Organic Light Emitting Diodes with Controllable Exciton Behavior by a Mixed Bipolar Interlayer[J]. Chin. Phys. Lett., 2016, 33(07): 047201
[7] Shuang Cheng, Jian-Qi Shen, Zhi-Qi Kou, Xiao-Ping Wang. Influence of Blocking Interlayer in Blue Organic Light-Emitting Diodes with Different Thicknesses of Emitting Layer and Interlayer[J]. Chin. Phys. Lett., 2016, 33(02): 047201
[8] JIAO Bo, YAO Li-Juan, WU Chun-Fang, DONG Hua, HOU Xun, WU Zhao-Xin. Room-Temperature Organic Negative Differential Resistance Device Using CdSe Quantum Dots as the ITO Modification Layer[J]. Chin. Phys. Lett., 2015, 32(11): 047201
[9] DING Lei, LI Huai-Kun, ZHANG Mai-Li, CHENG Jun, ZHANG Fang-Hui. High-Performance Hybrid White Organic Light-Emitting Diodes Utilizing a Mixed Interlayer as the Universal Carrier Switch[J]. Chin. Phys. Lett., 2015, 32(10): 047201
[10] ZHANG Hong-Mei, WANG Dan-Bei, WU Yuan-Wu, FANG Da, HUANG Wei. High-Efficiency Bottom-Emitting Organic Light-Emitting Diodes with Double Aluminum as Electrodes[J]. Chin. Phys. Lett., 2015, 32(10): 047201
[11] MU Ye, ZHANG Zhen-Song, WANG Hong-Bo, QU Da-Long, WU Yu-Kun, YAN Ping-Rui, LI Chuan-Nan, ZHAO Yi. Top-Emitting White Organic Light-Emitting Diodes Based on Cu as Both Anode and Cathode[J]. Chin. Phys. Lett., 2015, 32(09): 047201
[12] ZHANG Hong-Mei, WANG Dan-Bei, ZENG Wen-Jin, YAN Min-Nan. High-Efficiency Green Phosphorescent Organic Light-Emitting Diode Based on Simplified Device Structures[J]. Chin. Phys. Lett., 2015, 32(09): 047201
[13] XIANG Lan-Yi, YING Jun, HAN Jin-Hua, WANG Wei, XIE Wen-Fa. Solution-Processed High Mobility Top-Gate N-Channel Polymer Field-Effect Transistors[J]. Chin. Phys. Lett., 2015, 32(09): 047201
[14] ZHANG Wen-Wen, WU Zhao-Xin, LIU Ying-Wen, DONG Jun, YAN Xue-Wen, HOU Xun. Thermal Analysis of Organic Light Emitting Diodes Based on Basic Heat Transfer Theory[J]. Chin. Phys. Lett., 2015, 32(08): 047201
[15] ZHANG Ruo-Chuan, WANG Meng-Ying, YANG Li-Ying, QIN Wen-Jing, YIN Shou-Gen. Polymer Solar Cells Using a PEDOT:PSS/Cu Nanowires/PEDOT:PSS Multilayer as the Anode Interlayer[J]. Chin. Phys. Lett., 2015, 32(07): 047201
Viewed
Full text


Abstract