Structure and non-collinear magnetism of iron linear chains

被引：0
|
作者：
N. Fujima
T. Oda
机构：
[1] Shizuoka University,Faculty of Engineering
[2] Kanazawa University,Faculty of Science
来源：
The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics | 2003年 / 24卷
关键词：
31.15.Ar Ab initio calculations; 36.40.Cg Electronic and magnetic properties of clusters; 73.22.-f Electronic structure of nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals; 75.75.+a Magnetic properties of nanostructures;
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摘要：
Atomic structures and non-collinear magnetic moments are calculated by the first principle molecular dynamics for Fe5 and Fe6 linear chains with several fixed and free chain-lengths. The dimerization appears in the optimized atomic structures of all the chains. For the Fe5, the magnetic arrangement is parallel for a large chain-length and changes to non-collinear with decreasing the chain-length. For the Fe6, the magnetic arrangement is antiparallel in a unit of dimer for a small chain-length and changes to non-collinear with increasing the chain-length. These magnetic behaviors are simulated by a simple J1-J2 Heisenberg model.
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页码：89 / 92
页数：3
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