Magnetic enhancement and magnetic reduction in binary clusters of transition metal atoms

被引:30
作者
Andriotis, AN
Mpourmpakis, G
Froudakis, GE
Menon, M
机构
[1] Fdn Res & Technol Hellas, Inst Elect Struct & Laser, Iraklion 71110, Crete, Greece
[2] Univ Crete, Dept Chem, Iraklion 71409, Crete, Greece
[3] Univ Kentucky, Dept Phys & Astron, Lexington, KY 40506 USA
[4] Univ Kentucky, Ctr Computat Sci, Lexington, KY 40506 USA
关键词
D O I
10.1063/1.1752878
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Electronic and magnetic properties of small binary clusters containing one or two transition metal atoms are investigated using ab initio calculations with a view to explain the experimentally observed magnetic enhancement/reduction in these systems. As the present investigations do not rely on spin-orbit effects, our results reveal the enhancement or reduction in the magnetic moment to depend on two main factors; namely geometry and, most importantly, the d-band filling. The results can be used as a guide in the experimental synthesis of high density magnetic grains. (C) 2004 American Institute of Physics.
引用
收藏
页码:11901 / 11904
页数:4
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