MAGNETIC-PROPERTIES OF 3D-TRANSITION-METAL ALLOY CLUSTERS - (FEXCR1-X)N

被引：10

作者：

VEGA, A

DORANTESDAVILA, J

PASTOR, GM

BALBAS, LC

机构：

[1] Departmento de Física Teórica, Facultad de Ciencias, Universidad de Valladolid, Valladolid

来源：

ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS | 1991年 / 19卷 / 1-4期

关键词：

D O I：

10.1007/BF01448307

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

We present results for the magnetic properties of (Fe(x)Cr1-x)n alloy clusters obtained by using a tight-binding Hubbard Hamiltonian in the unrestricted Hartree-Fock approximation. The dependence of the average magnetic moment, local magnetic moments, magnetic order, and cohesive energy on the size and composition of the cluster were determined. In agreement with surface calculations, we find that the average magnetic moment of the alloy is larger than that of the cluster of one element. For n = 15 a transition from ferromagnetic to antiferro-magnetic order is obtained for x almost-equal-to 0.4 - 0.53. We discuss the importance of the overlap interaction in the spin polarized charge distribution of the alloy (e.g., charge transfer, local magnetic moments). The characteristic properties of the mixed clusters are also discussed by comparison with available results for homogeneous clusters.

引用

页码：263 / 265

页数：3