SPECTRAL PROPERTIES OF LARGE FULLERENES - FROM CLUSTER TO CRYSTAL

Authors
DRABOLD DA ORDEJON P DONG JJ MARTIN RM
Citation
Da. Drabold et al., SPECTRAL PROPERTIES OF LARGE FULLERENES - FROM CLUSTER TO CRYSTAL, Solid state communications, 96(11), 1995, pp. 833-838
Citations number
19
Categorie Soggetti
Physics, Condensed Matter
Journal title
Solid state communications → ACNP
ISSN journal
00381098
Volume
96
Issue
11
Year of publication
1995
Pages
833 - 838
Database
ISI
SICI code
0038-1098(1995)96:11<833:SPOLF->2.0.ZU;2-D
Abstract
Electronic structure methods are used to explore fullerenes from C-60 to C-3840. The appearance and development of electronic and vibrationa l bands is tracked from the discrete molecular levels of small cluster s to the quasi-continuous state density functions of large fullerenes. The electronic state density of C-2160 is very similar to monolayer g raphite, while the vibrational spectrum differs from graphite, even fo r C-3840.