STABILITY ANALYSIS OF SMALL COPPER NANOCLUSTERS
Keyword(s):
We have investigated the lowest-energy structures and electronic properties of the Cu n(n = 2–10) nanoclusters based on density functional theory (DFT) in local density approximation. The total energies, binding energies per atom, bond lengths, HOMO-LUMO gaps and ionization potentials have been calculated. The results are compared well with other theoretical and available experimental results.
2010 ◽
Vol 24
(24)
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pp. 4811-4820
2013 ◽
Vol 750-752
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pp. 1141-1145
2002 ◽
Vol 16
(11n12)
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pp. 1563-1569
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A New Approach to Noncollinear Spin Density Functional Theory beyond the Local Density Approximation
2012 ◽
Vol 8
(7)
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pp. 2193-2196
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2007 ◽
Vol 14
(03)
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pp. 481-487
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1997 ◽
Vol 79
(24)
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pp. 4878-4881
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