Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1260937 | Journal of Taibah University for Science | 2016 | 7 Pages |
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)
Authors
S. Nouemo, F. Tchoffo, J.M.B. Ndjaka, S. Domngang,