Calculated polarizabilities of intermediate-size Si clusters

Citation
K. Jackson et al., Calculated polarizabilities of intermediate-size Si clusters, PHYS REV A, 59(5), 1999, pp. 3685-3689
Citations number
24
Categorie Soggetti
Physics
Journal title
PHYSICAL REVIEW A
ISSN journal
10502947 → ACNP
Volume
59
Issue
5
Year of publication
1999
Pages
3685 - 3689
Database
ISI
SICI code
1050-2947(199905)59:5<3685:CPOISC>2.0.ZU;2-P
Abstract
We have used a first-principles, density-functional-based method to calcula te the electric polarizabilities and dipole moments for several low-energy geometrics of Si clusters in the size range 10 less than or equal to N less than or equal to 20. The polarizability per atom is found to be a slowly v arying, nonmonotonic function of N. Over this size range the polarizability appears to be correlated most strongly to cluster shape and not with eithe r the dipole moment or the highest occupied-lowest unoccupied molecular-orb ital gap. The calculations indicate that the polarizability per atom for Si clusters approaches the bulk limit from above as a function of size. [S105 0-2947(99)07305-9].