Tight-binding molecular-dynamics study of ferromagnetic clusters

被引：129
作者：
Andriotis, AN
Menon, M
机构：
[1] Fdn Res & Technol Hellas, Inst Elect Struct & Laser, Heraklio 71110, Crete, Greece
[2] Univ Kentucky, Dept Phys & Astron, Lexington, KY 40506 USA
[3] Univ Kentucky, Ctr Computat Sci, Lexington, KY 40506 USA
来源：
PHYSICAL REVIEW B | 1998年 / 57卷 / 16期
关键词：
D O I：
10.1103/PhysRevB.57.10069
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
A minimal parameter tight-binding molecular-dynamics scheme incorporating a Hubbard Hamiltonian for the treatment of magnetic effects is detailed. The computational efficiency of the scheme allows applications to cluster sizes well beyond the range of ab initio techniques. The method is used to obtain magnetic moments of Ni, Fe, and Co clusters in excellent agreement with experiment. [S0163-1829(98)01416-7].
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页码：10069 / 10081
页数：13
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