| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1561364 | Computational Materials Science | 2013 | 11 Pages |
Abstract
⺠Based on DFT calculations, Fen-xSix (n, x ⩽ 6) clusters are investigated. ⺠The Si substitutions increase cohesion of Fe cluster. ⺠The substitutions affect structural parameter, bond strength, and magnetic moment. ⺠The changes are connected with electron transfer from Fe to Si atoms.
Related Topics
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Computational Mechanics
Authors
T. Nakazawa, Y. Kaji,