Figure 5

Interaction energy between the Fe@C ₂₀ endofullerene and (8,8) nanotube. Dependences of the interaction energy E _Wi between the Fe@C₂₀ endofullerene and individual atoms of the (8,8) nanotube on the angle φ of rotation of the endofullerene about the nanotube axis are denoted by the thin lines. Dependence of the total interaction energy E _W between the Fe@C₂₀ endofullerene and the (8,8) nanotube on the angle φ is denoted by the thick line. (a) The (8,8) carbon nanotube with the Kekule structure; (b) the (8,8) carbon nanotube with the structure of metallic phase. All energies are given relative to the energy minima. Only dependences E _Wi with high values of the barriers ΔE _ri are shown.