title: Ferromagnetic and half-metallic behaviors of fullerene-cobalt polymer chains.
abstract: We present the results of first-principles calculations for polymers (C(60)-Co)(n) and (C(70)-Co)(n), which consist of alternating chains of fullerenes and cobalt. Both of them favor a ferromagnetic ground state. The latter one is a half-metal which will give rise to 100% spin polarization in the electronic transport, while the former is a semiconductor. Polymers (N@C(60)-Co)(n) and (N@C(70)-Co)(n), which encapsulate a nitrogen atom in each fullerene have magnetic moments four times larger than those without encapsulated nitrogen atoms. All these results can be explained in terms of pi(fullerene)-d(Co) and pi(fullerene)-p(N) hybridizations.
authors.affiliation: Department of Nano and Advanced Materials, College of Engineering, Jeonju University, Wansan-Ku, Chonju, Chonbuk, Republic of Korea.
authors.forename: Xiang
authors.initials: X
authors.lastname: Xu
authors.forename: Hong Seok
authors.initials: HS
authors.lastname: Kang