Phys. Rev. B 52, 14677–14681 (1995)Stability and electronic properties of nanoscale silicon clustersReceived 27 January 1995; published in the issue dated 15 November 1995 The Si28 and M@Si28 (M=tetravalent atoms) clusters have been studied by the density-functional theory. We find that both Si28 and C28 clusters have similar electronic structures and the dangling bonds of the Si28 cluster can be stabilized by some superatoms. The covalent interaction between the Si5 superatom and Si28 cluster opens a gap at the Fermi level, which makes the Si5@Si28 cluster kinetically stable. In good agreement with experiments, a strong similarity in the density of states between silicon clusters and bulk phase has been observed. © 1995 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.52.14677
DOI:
10.1103/PhysRevB.52.14677
PACS:
36.40.-c, 61.46.+w
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