TY - JOUR
T1 - Hyperdiamond and hyperlonsdaleit
T2 - Possible crystalline phases of fullerene C28
AU - Seifert, Gotthard
AU - Enyashin, Andrey N.
AU - Heine, Thomas
N1 - Copyright:
Copyright 2012 Elsevier B.V., All rights reserved.
PY - 2005
Y1 - 2005
N2 - Structures, energies of formation, electronic spectra and values of bulk moduli for crystalline modifications of small fullerene C28 with space groups Fd3m and P63 mmc are calculated at the density-functional based tight-binding level. Both solid phases of C28 have very similar characteristics, which are compared with those of crystals of other small fullerenes-C20 and C36. The important role of π component of the C-C bounds on the properties are shown.
AB - Structures, energies of formation, electronic spectra and values of bulk moduli for crystalline modifications of small fullerene C28 with space groups Fd3m and P63 mmc are calculated at the density-functional based tight-binding level. Both solid phases of C28 have very similar characteristics, which are compared with those of crystals of other small fullerenes-C20 and C36. The important role of π component of the C-C bounds on the properties are shown.
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U2 - 10.1103/PhysRevB.72.012102
DO - 10.1103/PhysRevB.72.012102
M3 - Article
AN - SCOPUS:33749159152
VL - 72
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 1098-0121
IS - 1
M1 - 012102
ER -