Molecules 2004, 9(9), 792-807; doi:10.3390/90900792
Article

Theoretical Studies on Electronic States of Rh-C60. Possibility of a Room-temperature Organic Ferromagnet

S. Nakano 1 , Y. Kitagawa 1,* email, T. Kawakami 1 , M. Okumura 1 , H. Nagao 2  and K. Yamaguchi 1
1 Department of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043, Japan 2 Department of Computational Science, Faculty of Science, Kanazawa University, Kanazawa, Ishikawa 920-1192, Japan
* Author to whom correspondence should be addressed.
Received: 1 April 2004 / Accepted: 3 May 2004 / Published: 31 August 2004
(This article belongs to the Special Issue Ferromagnetic Organic Radicals)
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Abstract: A possible mechanism for a ferromagnetic interaction in the rhombic (Rh) formof C60 (Rh-C60) is suggested on the basis of theoretical studies in relation to cage distortionof the C60 unit in the polymerized 2D-plane. Band structure calculations on Rh-C60 showthat cage distortion leads to competition between diamagnetic and ferromagnetic states,which give rise to the possibility of thermally populating the ferromagnetic state.
Keywords: Ferromagnetic Rh-C60; fullerene; tight binding band calculation.

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MDPI and ACS Style

Nakano, S.; Kitagawa, Y.; Kawakami, T.; Okumura, M.; Nagao, H.; Yamaguchi, K. Theoretical Studies on Electronic States of Rh-C60. Possibility of a Room-temperature Organic Ferromagnet. Molecules 2004, 9, 792-807.

AMA Style

Nakano S, Kitagawa Y, Kawakami T, Okumura M, Nagao H, Yamaguchi K. Theoretical Studies on Electronic States of Rh-C60. Possibility of a Room-temperature Organic Ferromagnet. Molecules. 2004; 9(9):792-807.

Chicago/Turabian Style

Nakano, S.; Kitagawa, Y.; Kawakami, T.; Okumura, M.; Nagao, H.; Yamaguchi, K. 2004. "Theoretical Studies on Electronic States of Rh-C60. Possibility of a Room-temperature Organic Ferromagnet." Molecules 9, no. 9: 792-807.

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