Magnetic moments of NiN clusters (N ≤ 34):: relation to atomic structure

被引：18

作者：

Rodríguez-López, JL ^{[1
]}

Aguilera-Granja, F

Vega, A

Alonso, JA

机构：

[1] Univ Autonoma San Luis Potosi, Inst Fis, San Luis Potosi 78000, Mexico

[2] Univ Valladolid, Dept Fis Teor, E-47011 Valladolid, Spain

来源：

EUROPEAN PHYSICAL JOURNAL D | 1999年 / 6卷 / 02期

关键词：

D O I：

10.1007/s100530050305

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

We have calculated the magnetic moment per atom of nickel clusters (Ni-N) as a function of cluster size in the range N less than or equal to 34 for the geometries proposed in the literature, obtained from different semiempirical potentials. The spin-polarized electronic structure has been calculated with a self-consistent tight-binding method considering the 3d, 4s and 4p valence electrons. We discuss the influence of geometrical factors like bond distance and coordination number. Good overall agreement with experiment is obtained, but some discrepancies remain.

引用

页码：235 / 241

页数：7

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