Average magnetization and local magnetic moments of FeN dusters (N<230)

被引：43

作者：

Franco, JA ^{[1
]}

Vega, A

Aguilera-Granja, F

机构：

[1] Univ Valladolid, Dept Fis Teor Atom Mol & Nucl, E-47011 Valladolid, Spain

[2] Univ Autonoma San Luis de Potosi, Inst Fis, San Luis De Potosi 78000, Mexico

来源：

PHYSICAL REVIEW B | 1999年 / 60卷 / 01期

关键词：

D O I：

10.1103/PhysRevB.60.434

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We have calculated the average magnetic moments per atom <(mu)over bar>(N) of iron clusters, Fe-N, as a function of cluster size in the range 9 less than or equal to N less than or equal to 229. The cluster geometries are assumed to be spherical portions of the bce lattice. The spin-polarized electronic structure has been calculated for the assumed structures with a self-consistent tight-binding model considering the 3d, 4s, and 4p valence electrons with global charge neutrality. The nonmonotonic decrease of the <(mu)over bar>(N) with increasing cluster size experimentally observed is obtained, although the oscillations are not well reproduced. The results are also discussed in comparison with other recent theoretical calculations. [S0163-1829(99)12821-2].

引用

页码：434 / 439

页数：6

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Average magnetization and local magnetic moments of FeN dusters (N&lt;230)

Average magnetization and local magnetic moments of FeN dusters (N<230)