Indexed by:
Abstract:
By using ab initio self-consistent-field (SCF) method, the geometry optimization of the C28, C28C4, C28H4 and C28C fullerenes was performed in Td symmetry, then the total-energy, electronic states and charge distribution were calculated. The stability of clusters was determined with their binding energy. It is found that the C28, C28C'4 and C28H4 clusters are stable, but C28C is not. The energy-gap value is related with the bonding states of A-like carbons located at the corners of Td-symmetry. It should be expected that the hyperdiamond with C28 base belongs to wide-gap semiconductor with gap of about 3 eV.
Keyword:
Reprint 's Address:
Email:
Version:
Source :
Journal of Beijing University of Aeronautics and Astronautics
ISSN: 1001-5965
CN: 11-2625/V
Year: 1999
Issue: 3
Volume: 25
Page: 100-106
Cited Count:
SCOPUS Cited Count:
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 2
Affiliated Colleges: