TY - JOUR
T1 - Carbon clusters near the crossover to fullerene stability
AU - Kent, P. R.C.
AU - Towler, M. D.
AU - Needs, R. J.
AU - Rajagopal, G.
PY - 2000/12/15
Y1 - 2000/12/15
N2 - The energetic stability of structural isomers of C24, C26, C28, and C32 clusters, including fullerenes, is studied using diffusion quantum Monte Carlo methods. We predict that a C24 isomer is the smallest stable graphitic fragment and that the smallest stable fullerenes are the C26 and C28 clusters with C2v and Td symmetry, respectively. Given suitable experimental conditions these small fullerenes should therefore be producible in abundance, facilitating production of fullerene-based solids.
AB - The energetic stability of structural isomers of C24, C26, C28, and C32 clusters, including fullerenes, is studied using diffusion quantum Monte Carlo methods. We predict that a C24 isomer is the smallest stable graphitic fragment and that the smallest stable fullerenes are the C26 and C28 clusters with C2v and Td symmetry, respectively. Given suitable experimental conditions these small fullerenes should therefore be producible in abundance, facilitating production of fullerene-based solids.
UR - http://www.scopus.com/inward/record.url?scp=0034670703&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.62.15394
DO - 10.1103/PhysRevB.62.15394
M3 - Article
AN - SCOPUS:0034670703
SN - 0163-1829
VL - 62
SP - 15394
EP - 15397
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 23
ER -