Abstract
The molecular dynamics method with the modified tight-binding (TB-SMA) potential has been used to study thermal stability of the initial fcc phase in perfect silver clusters to 2 nm in diameter. Dimensional boundaries of nanoparticles, at which the internal atomic configuration changes upon heating, have been determined using the molecular dynamics simulation. It has been shown that the temperature factor can cause the transition from the initial fcc phase to other structural modifications, including those with pentagonal symmetry, in small Ag clusters. It has been demonstrated that “magic” numbers play an important role in the formation of the internal structure of silver clusters.
Article PDF
Similar content being viewed by others
Avoid common mistakes on your manuscript.
References
J. P. Wilcoxon and B. L. Abrams, Chem. Soc. Rev. 35, 1162 (2006).
B. R. Cuenya, Thin Sold Films 518, 3127 (2010).
M. Rycenga, C. M. Cobley, J. Zeng, W. Li, Ch. H. Moran, Q. Zhang, D. Qin, and Y. Xia, Chem. Rev. 111, 3669 (2011).
Nanotechnologies in Electronics, Ed. by Yu. A. Chaplygin (Tekhnosfera, Moscow, 2005) [in Russian].
Y. Lu, G. L. Liu, and L. P. Lee, Nano Lett. 5, 5 (2005).
B. J. Wiley, Y. Chen, J. M. McLellan, Y. Xiong, Z. Li, D. Ginger, and Y. Xia, Nano Lett. 7, 1032 (2007).
C. P. Poole,and F. J. Owens, Introduction to Nanotechnology (Wiley, London, 2003; Tekhnosfera, Moscow, 2006).
F. Baletto and R. Ferrando, Rev. Mod. Phys. 77, 371 (2005).
S. L. Gafner and Yu. Ya. Gafner, J. Exp. Theor. Phys. 107 (4): 712 (2008).
S. P. Bardakhanov, Yu. Ya. Gafner, S. L. Gafner, A. I. Korchagin, V. I. Lysenko, and A. V. Nomoev, Phys. Solid State 53 (4): 854 (2011).
S. L. Gafner, J. J. Gafner, S. P. Bardakhanov, and V. I. Lysenko, J. Comput. Theor. Nanosci. 9, 102 (2012).
I. V. Suzdalev, Nanotechnology: Physical Chemistry of Nanoclusters, Nanostructures, and Nanomaterials (KomKniga, Moscow, 2006) [in Russian].
A. Panáek, L. Kvítek, R. Prucek, M. Kolá, R. Veeová, N. Pizúrová, V. K. Sharma, T. Nevná, and R. Zboil, J. Phys. Chem. B 110, 16248 (2006).
H. Tamaru, H. Kuwata, H. T. Miyazaki, and K. Miyano, Appl. Phys. Lett. 80, 1826 (2002).
H. Hákkinen, M. Moseler, and U. Landman, Phys. Rev. Lett. 89, 033401 (2002).
E. M. Vernández, J. M. Soler, I. L. Garzón, L. C. Balbás, Phys. Rev. B: Condens. Matter 70, 165403 (2004).
B. J. Alder and T. E. Wainwright, J. Chem. Phys. 27, 1208 (1957).
Tao Pang, An Introduction to Computational Physics (Cambridge University Press, Cambridge, 2006).
Monte Carlo Methods in Statistical Physics, Ed. by K. Binder (Springer-Verlag, Heidelberg, 1979; Mir, Moscow, 1982).
B. J. Berne and D. Thirumalai, Annu. Rev. Phys. Chem. 37, 401 (1986).
D. K. Remler and P. A. Madden, Mol. Phys. 70, 921 (1990).
M. E. Tuckerman and M. Parrinello, J. Chem. Phys. 101, 1302 (1994).
J. A. McCammon, Rep. Prog. Phys. 47, 1 (1984).
F. Cleri and V. Rosato, Phys. Rev. B: Condens. Matter 48, 22 (1993).
S. Nose, J. Phys. Chem. 81, 511 (1984).
A. K. Starace, C. M. Neal, B. Cao, M. F. Jarrold, A. Aguado, and J. M. Lopez, J. Chem. Phys. 129, 144702 (2008).
D. Schebarchov and S. C. Hendy, Phys. Rev. Lett. 95, 116101 (2005).
S. H. Yang, C. L. Pettiette, J. Conceicao, O. Cheshnovsky, and R. E. Smalley, Chem. Phys. Lett. 139, 233 (1987).
W. Demtröder, Molekülphysik: Theoretische Grundlagen und experimentelle Methoden (Oldenburg, Heidelberg, 2000).
Yu. Ya. Gafner, V. S. Baidyshev, and S. L. Gafner, Phys. Solid State 57 (1): 188 (2015).
Yu. Ya. Gafner, Zh. V. Goloven’ko, and S. L. Gafner, J. Exp. Theor. Phys. 116 (2): 252 (2013).
J. L. Gardea-Torresdey, E. Gomez, J. R. Peralta-Videa, J. G. Parsons, H. Troiani, and M. Jose-Yacaman, Langmuir 19 1357 (2003).
K. L. Kelly, E. Coronado, L. L. Zhao, and G. C. Schatz, J. Phys. Chem. B 107, 668 (2003).
F. Baletto, R. Ferrando, A. Fortunelli, F. Montalenti, and C. Motett, J. Chem. Phys. 116, 3856 (2002).
Author information
Authors and Affiliations
Corresponding author
Additional information
Original Russian Text © L.V. Redel’, Yu.Ya. Gafner, S.L. Gafner, 2015, published in Fizika Tverdogo Tela, 2015, Vol. 57, No. 10, pp. 2061–2070.
Rights and permissions
About this article
Cite this article
Redel’, L.V., Gafner, Y.Y. & Gafner, S.L. Role of “magic” numbers in structure formation in small silver nanoclusters. Phys. Solid State 57, 2117–2125 (2015). https://doi.org/10.1134/S106378341510025X
Received:
Published:
Issue Date:
DOI: https://doi.org/10.1134/S106378341510025X