Abstract
The results of ab initio studies of the atomic and charge structure of small clusters and cluster ions formed by 13 and 19 argon atoms are reported. It was found that the icosahedral atomic structure is energetically the most favorable for such clusters. The calculations demonstrate that when a single electron is removed from a cluster, the excess positive charge is distributed primarily over the surface of the formed cluster ion.
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References
A. Lindblad, H. Bergersen, T. Rander, et al., Phys. Chem. Chem. Phys. 8, 1899 (2006).
B. M. Smirnov, Phys.-Usp. 50, 354 (2007).
S. Prasalovich, K. Hansen, M. Kjellberg, et al., J. Chem. Phys. 123, 084317 (2005).
V. N. Popok, Rev. Adv. Mater. Sci. 38, 7 (2014).
A. E. Ieshkin, A. A. Shemukhin, Yu. A. Ermakov, and V. S. Chernysh, Moscow Univ. Phys. Bull. 71, 87 (2016). doi 10.3103/S0027134916010082
I. A. Harris, K. A. Norman, R. V. Mulkern, and J. A. Northby, Chem. Phys. Lett. 130, 316 (1986).
T. Ikeshoji, B. Hafskjold, Y. Hashi, and Y. Kawazoe, J. Chem. Phys. 105, 5126 (1996).
A. L. Mackay, Acta Crystallogr. 15, 916 (1962).
B. W. Van de Waal, G. Torchet, and M.-F. de Feraudy, Chem. Phys. Lett. 331, 57 (2000).
D. A. Young, Phase Diagrams of the Elements (Univ. of California Press, Berkeley, 1991).
H. Haberland, Surf. Sci. 156, 305 (1985).
N. E. Levinger, D. Ray, M. L. Alexander, and W. C. Lineberger, J. Chem. Phys. 89, 5654 (1988).
H. Haberland, B. von Issendorff, T. Kolar, et al., Phys. Rev. Lett. 67, 3290 (1991).
N. L. Doltsinis, P. J. Knowles, and F. Y. Naumkin, Mol. Phys. 96, 749 (1999).
J. A. Gascon and R. W. Hall, J. Phys. Chem. 105, 6579 (2001).
E. Buonomo, M. P. de Lara-Castells, and F. A. Gianturco, Z. Phys. D 41, 211 (1997).
R. L. Johnston, Atomic and Molecular Clusters (Taylor & Francis, London, 2002).
P. E. Blöchl, Phys. Rev. B 50, 17953 (1994).
G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996).
D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980).
S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. 58, 1200 (1980).
H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976).
V. Sadovnichy, A. Tikhonravov, Vl. Voevodin, and V. Opanasenko, in Contemporary High Performance Computing: From Petascale toward Exascale (CRC Press, Boca Raton, 2013), p. 283.
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Original Russian Text © J.G. Korobova, A.E. Ieshkin, V.S. Chernysh, 2017, published in Vestnik Moskovskogo Universiteta, Seriya 3: Fizika, Astronomiya, 2017, No. 5, pp. 28–31.
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Korobova, J.G., Ieshkin, A.E. & Chernysh, V.S. Investigation of the charge distribution in small cluster ions Ar +13 and Ar +19 . Moscow Univ. Phys. 72, 470–473 (2017). https://doi.org/10.3103/S0027134917050083
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DOI: https://doi.org/10.3103/S0027134917050083