Magnetic properties of Fe chains on Cu2N/Cu(100): A density functional theory study

被引：18
|
作者：
Nicklas, Jeremy W. [1 ]
Wadehra, Amita [1 ]
Wilkins, John W. [1 ]
机构：
[1] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA
来源：
JOURNAL OF APPLIED PHYSICS | 2011年 / 110卷 / 12期
关键词：
AUGMENTED-WAVE METHOD; ANISOTROPY; SPECTROSCOPY; ATOMS; FILMS;
D O I：
10.1063/1.3672444
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
We present a density functional study of the magnetic properties of Fe adatoms on Cu2N/Cu(100) surface. The magnetic anisotropy energies of a single Fe atom are in excellent agreement with the available experiments. Our results for the spin densities and exchange coupling strengths for Fe dimer and trimer establish antiferromagnetic configuration to be the ground state due to predominant superexchange interaction mediated by nitrogen atoms in this system. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3672444]
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页数：4
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