Journal Article

PreJuSER-22670

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Weak antiferromagnetic superexchange interaction in fcc C60Hn

Choi, Y.-K. ; Cho, J.-H. ; Sanyal, B. ; Bihlmayer, G.FZJ*

2012
APS College Park, Md.

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Please use a persistent id in citations: http://hdl.handle.net/2128/10844  doi:10.1103/PhysRevB.86.081415

Abstract: 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.

Keyword(s): J

Note: This work was supported by National Research Foundation of Korea (NRF) grant funded by the Korean Government (NRF-2011-0015754). The calculations were performed by KISTI supercomputing center through the strategic support program (KSC-2011-C3-08) for the supercomputing application research.

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Contributing Institute(s):

1. Quanten-Theorie der Materialien (PGI-1)
2. Quanten-Theorie der Materialien (IAS-1)

Research Program(s):

1. Grundlagen für zukünftige Informationstechnologien (P42)

Appears in the scientific report 2012

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Database coverage:
; ; ; Current Contents - Social and Behavioral Sciences ; JCR ; Nationallizenz ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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