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Exact analytical results on electronic transport of conjugated polymer junctions: Renormalization method
Authors:Hassan Rabani  Mohammad Mardaani
Institution:1. Institute of Problems of Chemical Physics, Russian Academy of Sciences, 142432 Chernogolovka, Moscow Region, Russian Federation;2. Ivanovo State University, 153025 Ivanovo, Russian Federation;1. College of Physics and Information Technology, Shaanxi Normal University, Xian 710062, Shaanxi, PR China;2. College of Physics and Electronic Engineering, Nanyang Normal University, Nanyang 473061, Henan, PR China;3. Department of Physics, Xian University of Arts and Science, Xian 710065, Shaanxi, PR China;1. Department of Physics, Faculty of Science, National University of Singapore, 2 Science Drive 3, Singapore 117551, Singapore;2. Institute of High Performance Computing, Agency for Science, Technology and Research, 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632, Singapore;3. NUS Graduate School for Integrative Sciences and Engineering, National University of Singapore, 28 Medical Drive, Singapore 117456, Singapore;4. Korea Institute for Advanced Study, Seoul 130-722, Republic of Korea;1. Multi Materials Laboratory (LPMM), Federal Technological University of Parana, CEP 80230-901, Curitiba, Paraná, Brazil;2. Physics Institute of São Carlos (IFSC), University of São Paulo, CP 369, CEP 13560-970, São Carlos, SP, Brazil;3. Chemistry Institute, State University of Campinas (Unicamp), CP 6154, CEP 13084-971, Campinas, SP, Brazil;4. Department of Polymer Science and Engineering, University of Massachusetts, Amherst, MA, United States;5. Paulo Scarpa Polymer Laboratory (LaPPS), Federal University of Parana, CP 19081, CEP 81531-990, Curitiba, Paraná, Brazil
Abstract:We study the electrical coherent transport in a typical conjugated polymer connected to molecular electrodes. We provide an exact analytical method to reduce such a system to a uniform wire by employing Green’s function theory and the tight-binding Hamiltonian. The formalism is useful to investigate transport properties of periodic quasi-one dimensional molecular nanowires and polymers in the presence or absence of defects. Some illustrative examples including polyacetylene and poly(p-phenylene) polymers are given to show the ability of our approach. For ideal infinite polyacetylene and poly(p-phenylene) polymers due to dimerization respectively, one and two gaps will appear in the density of states spectra.
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