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Global minima of iron clusters described by Gupta potential

Author:
Nouemo, S., Tchoffo, F., Ndjaka, J.M.B., Domngang, S.
Source:
Journal of Taibah University for Science 2015
ISSN:
1658-3655
Subject:
energy, iron
Abstract:
In this paper, we present global minimum energy for iron clusters, ranging from sizes N=2 to 100 atoms, described by the phenomenological Gupta potential. Our optimized structures and symmetry groups are in agreement with previous ones obtained using Finnis–Sinclair potential; but our energy levels and nearest neighbor distances differ slightly. The origins of the differences are related back to the differences in the potentials.
Agid:
5439588