Spin polarization in carbon nanostructures with disclinations

摘要

We performed ab initio calculations, using density functional theory, to study spin polarization in carbon nanostructures with disclinations. The results indicate that compounds with positive and negative Gaussian curvature may exhibit a net magnetic moment in the ground state. Additionally, we can conclude that, carbon compounds that display an odd number of pentagons and heptagons, present polarization in the ground state. (C) 2007 Elsevier B.V. All rights reserved.