( Pp. 15-22)

More about authors
Popov Alexander M. doktor fiziko-matematicheskih nauk, professor; fakultet vychislitelnoy matematiki i kibernetiki
Lomonosov Moscow State University Shumkin Georgiy Nikolaevich doktorant, kand. fiz.-mat. nauk, fakultet vychislitelnoy matematiki i kibernetiki
Moscow State University named after M. V. Lomonosov
For read the full article, please, register or log in
In the article the mathematical model of the phase transition from high-resistance amorphous state to low-resistance crystalline state is developed. The study is made, employing quantum molecular dynamics. The semiconductor structure is analyzed and changes of conductivity and heat capacity during the phase transition are estimated. Found process is simulated by the model of a continuous medium with Joule heating source. Stability of the nonlinear heat conduction problem solutions is studied, when the current-voltage characteristics are in the region of negative differential conductivity. The phase-change memory performance, associated with the molecular system instability, is discussed.
How to Cite:
Popov A.M., Shumkin G.N., (2017), NANOSYSTEM ATOMIC STRUCTURE STABILITY DURING THE MOLECULAR SWITCHING. Computational Nanotechnology, 1: 15-22.
Reference list:
Handbook of Theoretical and Computational Nanotechnology, Third Edition by Michael Rieth and Wolfram Schommers, Karlsruhe, Germany, 10-Volume Set, 2006, 8000 p.
Nano and Molecular Electronics, Handbook, Edited by Sergey Edward Lyshevski,.- CRC Press, Taylor and Francis Group, (2007)
Abu Sebastian, Andrew Pauza, Christophe Rossel, Robert M Shelby, Arantxa Fraile Rodriguez, Haralampos Pozidis and Evangelos Eleftheriou,.- New Journal of Physics (2011)
L.D. Landau i E.M. Lifshits, Statisticheskaya fizika, tom V, Izd. Nauka, Moskva, 568 c., 1964.
A.F. Volkov, SH.M. Kogan, Fizicheskie yavleniya v poluprovodnikakh s otritsatel noy differentsial noy provodimost yu, UFN, tom 96, vyp.4, 1968.
B.B. Kadomtsev, Kollektivnye yavleniya v plazme, Izd. Nauka, Moskva, 304 c., 1988.
G.N. Shumkin, F.Zipoli, A.M. Popov, A.Curioni, Multiscale quantum simulation of resistance switching in amorphous carbon, Procedia Computer Science, 9, 2012, pp. 641-650.
R. Car and M. Parrinello, Unified approach for molecular dynamics and density-functional theory. Phys.Rev.Lett., 1985,pp. 2471-2474.
V.I. Ivanov-Omskiy, A.B. Lodygin, S.G. YAstrebov, Skaniruyushchaya tunnel naya spektroskopiya amorfnogo ugleroda: model tunnelirovaniya. Pis ma v ZHTF, tom 25, vyp. 24 , s. 66-71, 1999.
G.N. Shumkin, A.M. Popov, A.Curioni, T. Laino, A multiscale modelling of naphthalocyanine-based molecular switch, Procedia Computer Science 1 (1) pp. 185-192, 2010.
Standley B., Bao W., Zhang H., et al. Graphene-based atomic-scale switches, Nano Lett. , pp. 3345-3349, 2008.
Meijer G., Who wins the non-volatile memory race Science , pp.1625-1626, 2008.
Marks N.A., McKenzie D.R., Pailthorpe B.A., Bernasconi M., Parrinello M., Ab initio simulations of tetrahedral amorphous carbon. Phys. Rev. B , N.14, pp.9703-9714, 1996.
Takai K, Oga M, Sato H, et. al. Structure and electronic properties of a nongraphitic disordered carbon system and its heat-treatment effects. Phys. Rev. B , 214202, 2003.
Yu He, Jinyu Zhang, Ximeng Guan, et. al. Molecular Dynamics Study of the Switching Mechanism of Carbon-Based Resistive Memory. IEEE TRANSACTIONS ON ELECTRON DEVICES, Vol. 57, N. 12, pp.3434-3441, 2010.
Ivanov-Omskii V.I., Lodygin A.B., Yastrebov S.G., Chelnokov V.E., Journ. of Chemical Vapour Deposition. V.5, p. 198, 1997.
Averin D.V., Likharev K.K., Single-electron Tunnelling and Mesoscopic Devices. Ed. by H. Koch, H. Lubbig, Springer-Verlag, Berlin, p.3, 1992.
W.Andreoni and A.Curioni New Advances in Chemistry and Materials Science with CPMD and Parallel Computing Parallel Computing, , pp. 819-842, 2000.
The CPMD consortium:
Popov, A. M., Shumkin, G. N., Nikishin, N. G., Multiscale simulation of thermal disruption in resistance switching process in amorphous carbon, Journal of Phys.: Conf. Series, Volume 640(1), 012027, 2015
W. Kohn, Density Functional and Density Matrix Method Scaling Linearly with the Number of Atoms, Phys.Rev.Lett., ,p. 3168, 1996.
P. R. Wallace, The Band Theory of Graphite. Phys. Rev. , p. 622, 1947.
phase transition, the memory on the phase transitions, quantum molecular dynamics, nonlinear heat conduction problem.