Abstract
Self-consistent calculations of spatial distributions of electrons, potentials, and energies of dissociation, cohesion, vacancy formation, and electron attachment, as well as the ionization potential of solid Al N , Na N clusters (N ≥ 254), and clusters containing a vacancy (N ≥ 12) have been performed using a model of stable jellium. The contribution of a monovacancy to the energy of the cluster, the size dependences of the characteristics, and their asymptotic forms have been considered. The calculations have been performed on the SKIT-3 cluster at the Glushkov Institute of Cybernetics, National Academy of Sciences of Ukraine (Rpeak = 7.4 Tflops).
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Original Russian Text © V.I. Reva, V.V. Pogosov, 2018, published in Zhurnal Tekhnicheskoi Fiziki, 2018, Vol. 63, No. 2, pp. 183–193.
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Reva, V.I., Pogosov, V.V. Energy Characteristics of Small Metal Clusters Containing Vacancies. Tech. Phys. 63, 175–185 (2018). https://doi.org/10.1134/S1063784218020251
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DOI: https://doi.org/10.1134/S1063784218020251