화학공학소재연구정보센터
Chemical Physics Letters, Vol.484, No.4-6, 276-282, 2010
Wannier analysis of magnetic graphenes
The spin alignment in graphenes with methylene edges is deduced using the crystal orbital method. The ferromagnetic interactions result from exchange integrals between Wannier functions of nonbonding crystal orbitals, in which the amplitudes are localized at the edges. The exchange integral per unit cell decreases as the number of ladders increases. (C) 2009 Elsevier B. V. All rights reserved.