中国电子科技2004，Vol.2Issue(4)：79-82,4.
Electronic and Magnetic Properties of Small Iridium Clusters
Electronic and Magnetic Properties of Small Iridium Clusters
摘要
Abstract
The electronic and magnetic properties of small IrN clusters (N=5, 6, 9, 13, and 19 ) are studied by using the discrete-variational local-spin-density-functional method. The equilibrium bond length in the chosen geometry for IrN clusters are determined and show bond contraction compared with the bulk interatomic spacing. The clusters with magnetic ground state have ferromagnetic interaction and their average magnetic moment per atom has a complex size dependence. At last, the reactivity of IrN clusters toward H2, N2 and CO molecules is predicted.关键词
small iridium clusters/electronic structure/magnetic properties/contraction effectKey words
small iridium clusters/electronic structure/magnetic properties/contraction effect分类
信息技术与安全科学引用本文复制引用
KUANG Xiang-jun..Electronic and Magnetic Properties of Small Iridium Clusters[J].中国电子科技,2004,2(4):79-82,4.基金项目
Supported by theYouth Natural Science Foundation of Educational Bureau of Sichuan Province (No.212-114879) （No.212-114879）
