Geometry, electronic structure, and magnetism of Rhn (n=9, 13, 15, 17, 19) clusters

被引：24

作者：

Sun, HQ

Ren, Y

Luo, YH

Wang, GH ^{[1
]}

机构：

[1] Nanjing Univ, Natl Lab Solid State Microstruct, Nanjing 210093, Peoples R China

[2] Nanjing Univ, Dept Phys, Nanjing 210093, Peoples R China

[3] Yancheng Inst Technol, Yancheng 224502, Peoples R China

来源：

PHYSICA B | 2001年 / 293卷 / 3-4期

基金：

中国国家自然科学基金;

关键词：

rhodium clusters; genetic algorithm; magnetism;

D O I：

10.1016/S0921-4526(00)00526-3

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Using an empirical many-body potential and Genetic Algorithm, the geometry of Rh-n (n = 9, 13, 15, 17, 19) clusters has been optimized. Based on the optimization geometry, the ground-state magnetic properties and related electronic properties of rhodium clusters are calculated by using a spd-band model Hamiltonian in the unrestricted Hartree-Fock approximation. Results are given for the average magnetic moment per atom <(<mu>)over bar>(n), the spin-polarized charge distribution within the cluster, and the sp and the d electronic density of state. The calculated <(<mu>)over bar>(n) are in good agreement with the experiments. (C) 2001 Elsevier Science B.V. All rights reserved.

引用

页码：260 / 267

页数：8

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