Title of article
Magic numbers in small iron clusters: A first-principles study
Author/Authors
Kim، نويسنده , , Eunja and Mohrland، نويسنده , , Andrew and Weck، نويسنده , , Philippe F. and Pang، نويسنده , , Tao and Czerwinski، نويسنده , , Kenneth R. and Tomلnek، نويسنده , , David، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2014
Pages
5
From page
59
To page
63
Abstract
We perform ab initio spin-polarized density functional calculations of Fen aggregates with n ≤ 17 atoms to reveal the origin of the observed magic numbers, which indicate particularly high stability of clusters with 7, 13 and 15 atoms. Our results clarify the controversy regarding the ground state geometry of clusters such as Fe5 and indicate that magnetism plays an important role in determining the stability and magic numbers in small iron clusters.
Journal title
Chemical Physics Letters
Serial Year
2014
Journal title
Chemical Physics Letters
Record number
1937390
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