Publications [#235121] of Weitao Yang

Journal Articles

1. Lu, JP; Yang, W, The shape of large single- and multiple-shell fullerenes, Phys. Rev. B., vol. 49 no. 16 (1994), pp. 11421-11424, American Physical Society (APS), ISSN 0163-1829 [doi]
   (last updated on 2026/01/16)

   Abstract:
   The morphology of multiple-shell fullerenes is investigated by ab initio calculations using Yang's O(N) method. It is found that for large single-shell fullerenes with Ih symmetry, the spherical morphology has lower energy than that of polyhedrons. The formation energy per atom follows a simple scaling law. Including an estimate of intershell van de Waals interactions leads to the conclusion that spherical multiple-shell fullerenes are likely the most stable structure of large carbon clusters. These results are in good agreement with recent experiments. © 1994 The American Physical Society.