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Table 1 Calculated characteristics of the dynamical behaviour of the C20 and Fe@C20 fullerenes inside the (8,8) nanotube of different structure

From: Effect of Peierls transition in armchair carbon nanotube on dynamical behaviour of encapsulated fullerene

Nanotube structure Kekule structure Structure of metallic phase
Fullerene C 20 Fe@C 20 C 20 Fe@C 20
ΔE d (meV) 1.68 1.73 0.87 0.44
ΔE r (meV) 0.33 0.05 0.87 0.44
ν d (GHz) 72.2 54.8 75.7 51.3
ν z (THz) 0.439 0.144 0.558 0.329
ν x (THz) 1.30 1.25 1.36 1.13
ν y (THz) 2.15 2.82 2.08 2.14
  1. ΔE d is the barrier for diffusion of the fullerenes along the nanotube axis, ΔE r is the barrier for rotation of the fullerenes about the nanotube axis, ν d is the frequency of small relative vibrations of the fullerenes along the nanotube axis, ν z is the frequency of small relative rotational vibrations of the fullerenes about the nanotube axis, ν x and ν y are the frequencies of small relative rotational vibrations of the fullerenes about the two mutually perpendicular lateral axes.