No evidence for size-dependent icosahedral --> fcc structural transition in rare-gas clusters.

نویسنده

  • van de Waal BW
چکیده

A structural model for a 3000-atom Ar cluster has been developed whose simulated electrondiffraction pattern is in excellent agreement with hitherto unexplained experimental results [J. Farges et al., J. Chem. Phys. 59, 3454 (1973)]. Although the cluster size is intermediate with respect to the icosahedral and fcc crystalline regimes, the model does not involve a structural transition. It consists of a persisting multiply twinned core with dominant fivefold symmetry, surrounded by a faulted shell with defects that stimulate 3D fcc single crystal growth and prevent hcp stacking.

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عنوان ژورنال:
  • Physical review letters

دوره 76 7  شماره 

صفحات  -

تاریخ انتشار 1996