%0 Journal Article
%T Structure and magnetism of 3d series (TM)4 clusters<br>3d系列 (TM)4 团簇的结构和磁性
%A 吕瑾
%A 许小红
%A 武海顺
%J 物理学报
%D 2004
%I 
%X Based on the first-principle, we optimize all geometric structures of (TM) 4 c lusters, calculate the energy, frequency and magnetism of (TM) 4 clusters by us ing the local spin density approximation(LSDA) and generalized gradient approxim ation(GGA) density functional theory. We confirm the ground-state structures of (TM) 4 clusters, study their magnetism, binding energy and average interatomic distance systematically, and find that in the 3d series (TM) 4 clusters, the l o cal magnetic moment of Mn 4 cluster is the largest, that of the V 4 cluster is the weakest. Except that the Cr 4 cluster in LSDA and GGA shows anti-ferromag netic coupling,and the V 4 cluster in GGA shows also anti-ferromagnetic coupl ing, other clusters all show ferromagnetic coupling.
%K TM)
%K 4 clusters
%K structure of ground s tate
%K binding energy
%K local magnetic moment
%K average interatomic distance<br>（TM）4团簇
%K 基态构型
%K 结合能
%K 局域磁矩
%K 平均原子间距
%K 第一性原理
%K 广义梯度近似
%K 铁磁性耦合
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=29DF2CB55EF687E7EFA80DFD4B978260&aid=473D00250F04D948&yid=D0E58B75BFD8E51C&vid=8E6AB9C3EBAAE921&iid=E158A972A605785F&sid=208AC7DC28BD1EC6&eid=309A221A57FE8496&journal_id=1000-3290&journal_name=物理学报&referenced_num=0&reference_num=25