Atomic and electronic properties of spherical silicon clusters

1999-07-01
We have investigated the atomic and electronic properties of spherical ideal Si-N clusters (N = 5-417) using the empirical many-body potential energy function consisting of two- and three-body interactions, and by empirical tight-binding calculations, respectively. It has been found that the average interaction energy per atom decreases as the cluster size increases, and it becomes almost constant after the size N greater than or equal to 275. On the other hand, the band gap shows cluster size dependent characteristics; the band gap decreases as the cluster sire increases.

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Citation Formats
S. Erkoc and Ş. Katırcıoğlu, “Atomic and electronic properties of spherical silicon clusters,” PHYSICA E, pp. 185–191, 1999, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/48085.