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[3.50]

"Values for the eight distinct bond lengths are given in Table 3.3. ''The volume of the C70 molecule is defined as V = irabc, where a, b, c denote the radii of the ellipsoid as given in this table.

cThe calculated binding energy per C atom is ~20 meV greater for C70 than for Cm and ~690 meV less than for graphite, but the absolute magnitude of the binding energy is less certain.

dThe calculated band gap varies from 1.55 eV [3.49] to 1.76 eV [3.51],

"Values for the eight distinct bond lengths are given in Table 3.3. ''The volume of the C70 molecule is defined as V = irabc, where a, b, c denote the radii of the ellipsoid as given in this table.

cThe calculated binding energy per C atom is ~20 meV greater for C70 than for Cm and ~690 meV less than for graphite, but the absolute magnitude of the binding energy is less certain.

dThe calculated band gap varies from 1.55 eV [3.49] to 1.76 eV [3.51],

Fig. 3.5. Geometry of the C70 molecule with Dsh symmetry. In the C70 cluster, there are five inequivalent atomic sites (1-5) and eight kinds of bonds (boxed numbers) [3.13].

Table 33

Experimental bond lengths of C70 (in A) compared with calculations. The notation is given in Fig. 3.5.

Table 33

Bond

TBMD"

MNDOc

HFC

ED''

Experiments NIS"

x-ray'

CrC,

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