Weak antiferromagnetic superexchange interaction in fcc C60Hn

被引：3
|
作者：
Choi, Yun-Ki [1 ,2 ]
Cho, Jun-Hyung [1 ,2 ]
Sanyal, Biplab [3 ]
Bihlmayer, Gustav [4 ,5 ]
机构：
[1] Hanyang Univ, Dept Phys, Seoul 133791, South Korea
[2] Hanyang Univ, Res Inst Nat Sci, Seoul 133791, South Korea
[3] Uppsala Univ, Div Mat Theory, Dept Phys & Astron, Angstromlab, SE-75120 Uppsala, Sweden
[4] Forschungszentrum Julich, Inst Festkorperforsch, D-52425 Julich, Germany
[5] Forschungszentrum Julich, Inst Adv Simulat, D-52425 Julich, Germany
来源：
PHYSICAL REVIEW B | 2012年 / 86卷 / 08期
基金：
新加坡国家研究基金会;
关键词：
MAGNETIC-PROPERTIES; SPIN POLARIZATION; FULLERENES; FULLERIDES; CARBON; MODEL; C-60;
D O I：
10.1103/PhysRevB.86.081415
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
A recent density-functional calculation for fcc C60Hn (n = odd) [ K.W. Lee and C. E. Lee, Phys. Rev. Lett. 106, 166402 (2011)] proposed the existence of Stoner ferromagnetism based on an itinerant band model. However, our density-functional calculation shows that the antiferromagnetic (AFM) configuration is slightly more stable than the ferromagnetic (FM) one. This preference for antiferromagnetism over ferromagnetism is analogous to the case of a dimer (C60H)(2), where each C60H is spin polarized by an intramolecular exchange and the two magnetic moments are antiferromagnetically coupled with each other. The results demonstrate that the underlying mechanism of the magnetic order in fcc C60Hn is associated with the AFM superexchange between the magnetic moments created by H dopants.
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页数：5
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