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Molecules 2004, 9(9), 792-807; https://doi.org/10.3390/90900792

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

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. View Full-Text
Keywords: Ferromagnetic Rh-C60; fullerene; tight binding band calculation. Ferromagnetic Rh-C60; fullerene; tight binding band calculation.
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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.

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