Abstract
The dynamics of a system for different types of polarons, i.e., in polythymine nucleotides (large-radius polaron), in polyadenine fragments (small-radius polaron), and in polyguanine DNA (intermediate case) at different thermostat temperatures are calculated using the semi-classical Holstein model. The temperature dependences of the thermodynamic equilibrium values of the total energy, the energy of an excess charge, and the electronic heat capacity have been obtained. For all polaron types, the peak of the electronic heat capacity dependence on temperature separates two modes (polaron and delocalized state). The electronic part of the energy is estimated in the high-temperature limit. In all cases, the electron heat capacity at high temperatures decreases in inverse proportion to the square of the temperature.
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References
Charge Migration in DNA, Ed. by T. Chakraborty (Springer, Berlin, 2007).
V. D. Lakhno, Int. J. Quant. Chem. 108, 1970 (2008).
Nanobioelectronics — for Electronics, Biology, and Medicine, Ed. by A. Offenhäusser and R. Rinaldi (Springer, New York, 2009).
T. Holstein, Ann. Phys. 8, 325 (1959).
G. Ithier, E. Collin, P. Joyez, et al., Phys. Rev. Lett. 94, 057004 (2005).
S. S. Alexandre, E. Artacho, J. M. Soler, and H. Chacham, Phys. Rev. Lett. 91, 108105 (2003).
Y. Wang, L. Fu, and K.-L. Wang, Biophys. Chem. 119, 107 (2006).
E. Starikov, Philos. Mag. 85, 3435 (2005).
V. D. Lakhno and N. S. Fialko, J. Exp. Theor. Phys. 120, 125 (2015).
N. Fialko, E. Sobolev, and V. Lakhno, Phys. Lett. A 380, 1547 (2016).
C. J. Murphy, M. R. Arkin, Y. Jenkins, et al., Science 262, 1025 (1993).
S. O. Kelley and J. K. Barton, Science 283, 375 (1999).
P. O. Neill, A. W. Parker, M. A. Plumb, and L. D. A. Siebbeles, J. Phys. Chem. B 105, 5283 (2001).
V. D. Lakhno and N. S. Fialko, Russ. J. Phys. Chem. A 86, 832 (2012).
A. A. Voityuk, N. Rösch, M. Bixon, et al., J. Phys. Chem. B 104, 9740 (2000).
J. Jortner, M. Bixon, A. A. Voityuk, et al., J. Phys. Chem. A 106, 7599 (2002).
G. B. Schuster, Acc. Chem. Res. 33, 253 (2000).
Modern Methods for Theoretical Physical Chemistry of Biopolymers, Ed. by E. B. Starikov, S. Tanaka, and J. P. Lewis (Elsevier Scientific, Amsterdam, 2006), p. 461.
V. D. Lakhno and V. B. Sultanov, Theor. Math. Phys. 176, 1194 (2013).
H. S. Greenside and E. Helfand, Bell Syst. Tech. J. 60, 1927 (1981).
P. S. Lomdahl and W. C. Kerr, Phys. Rev. Lett. 55, 1235 (1985).
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Original Russian Text © N.S. Fialko, E.V. Sobolev, V.D. Lakhno, 2017, published in Zhurnal Eksperimental’noi i Teoreticheskoi Fiziki, 2017, Vol. 151, No. 4, pp. 744–751.
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Fialko, N.S., Sobolev, E.V. & Lakhno, V.D. On the calculation of thermodynamic quantities in the Holstein model for homogeneous polynucleotides. J. Exp. Theor. Phys. 124, 635–642 (2017). https://doi.org/10.1134/S1063776117040124
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DOI: https://doi.org/10.1134/S1063776117040124