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Dynamics and transport of a large acoustic polaron in one dimension
Institution:1. Área Química Inorgánica, DEC, Facultad de Química, Universidad de la República, Montevideo, Uruguay;2. Dipartimento di Chimica, Università degli Studi di Firenze, Sesto Fiorentino, Italy;3. Departament de Química Inorgànica-ICMol, Facultat de Química de la Universitat de València, Paterna, València, Spain;1. Department of Radiation Oncology, Washington University School of Medicine, Saint Louis, Missouri;2. Philips Healthcare, Cleveland, Ohio;3. Department of Radiation Oncology, Henry Ford Health System, Detroit, Michigan;4. Department of Radiation Oncology, University of California-Los Angeles, Los Angeles, California;6. Department of Radiation Oncology, Mayo Clinic in Arizona, Phoenix, Arizona;1. Centro Brasileiro de Pesquisas Físicas, Rua Dr. Xavier Sigaud, 150, Urca 22290-180, Rio de Janeiro, RJ, Brazil;2. Departamento de Ciências Naturais, Universidade Federal de São João Del Rei, 36301-000, São João Del Rei, MG, Brazil;3. Department of Physics, The Ohio State University, Columbus, OH 43210, USA;1. Department of Chemistry and Biochemistry, National Chung Cheng University, Chia-Yi 62102, Taiwan;2. Institute of Atomic and Molecular Sciences, Academia Sinica, P.O. Box 23-166, Taipei 10617, Taiwan;3. Scientific Research Division, National Synchrotron Radiation Research Center, Hsinchu 30076, Taiwan;4. Department of Applied Chemistry, National Chiao Tung University, Hsinchu 30010, Taiwan;5. Department of Chemistry, National Taiwan University, Taipei 10617, Taiwan;6. Department of Chemistry, National Tsing Hua University, Hsinchu 30013, Taiwan
Abstract:We have studied the dynamics and transport relaxation of a large polaron in a one-dimensional (1-D) system with an acoustic- (Debye) type phonon spectrum and a deformation potential electron-phonon interaction. The dynamics is treated in a collective coordinate formalism which shows that such a polaron moves as a heavy quasi-particle that carries energy and (crystal) momentum. For thermal energies less than the polaron binding energy, its transport relaxation is dominated by collision processes wherein a thermal phonon is reflected off the polaron with a momentum transfer that is small compared to the thermal polaron momentum. The phonon reflectivity is estimated and found to exhibit a maximum (resonance) for phonon wavelengths that match the polaron size. Furthermore, the reflectivity is largely independent of the polaron momentum. We incorporate these results into a semi-classical (Boltzmann) kinetic theory and obtain a polaron mobility that is independent of the polaron effective mass and decreases monotonically with increasing temperature. These results are compared to and found to be substantially different from those obtained recently for the large polaron in the 1-D molecular cystal model wherein the underlying phonon spectrum has optical (Einstein) character.To study the effects of three-dimensional (3-D) coupling on the 1-D polaron, we propose a simple 3-D extension of the 1-D acoustic model which includes both electronic and elastic interchain interactions. We briefly discuss the question of polaron stability in the presence of 3-D coupling and the criteria of validity for the purely 1-D treatment.
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