Theoretical studies on electronic states of Rh-C60. Possibility of a room-temperature organic ferromagnet

S Nakano; Y Kitagawa; T Kawakami; M Okumura; H Nagao; K Yamaguchi

doi:10.3390/90900792

Theoretical studies on electronic states of Rh-C60. Possibility of a room-temperature organic ferromagnet

Molecules. 2004 Aug 31;9(9):792-807. doi: 10.3390/90900792.

Authors

S Nakano¹, Y Kitagawa, T Kawakami, M Okumura, H Nagao, K Yamaguchi

Affiliation

¹ Department of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043, Japan.

Abstract

A possible mechanism for a ferromagnetic interaction in the rhombic (Rh) form of C60 (Rh-C60) is suggested on the basis of theoretical studies in relation to cage distortion of the C60 unit in the polymerized 2D-plane. Band structure calculations on Rh-C60 show that cage distortion leads to competition between diamagnetic and ferromagnetic states,which give rise to the possibility of thermally populating the ferromagnetic state.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Crystallography, X-Ray
Electrons*
Ferric Compounds / chemistry*
Fullerenes / chemistry*
Magnetics*
Magnets
Models, Chemical*
Temperature*

Substances

Ferric Compounds
Fullerenes
ferrite