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Solids
Energy characteristics of small metal clusters containing vacancies
V. I. Reva, V. V. Pogosov Zaporizhzhya National Technical University
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 ($N\le$ 254), and clusters containing a vacancy ($N\ge$ 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).
Received: 21.03.2017
Citation:
V. I. Reva, V. V. Pogosov, “Energy characteristics of small metal clusters containing vacancies”, Zhurnal Tekhnicheskoi Fiziki, 88:2 (2018), 183–193; Tech. Phys., 63:2 (2018), 175–185
Linking options:
https://www.mathnet.ru/eng/jtf5986 https://www.mathnet.ru/eng/jtf/v88/i2/p183
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Abstract page: | 30 | Full-text PDF : | 8 |
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