Skip to main content
SpringerLink
Account

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.
Back to article page

Search

Navigation