Article ID Journal Published Year Pages File Type
1260937 Journal of Taibah University for Science 2016 7 Pages PDF
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.

Related Topics
Physical Sciences and Engineering Chemistry Chemistry (General)
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