Calculated polarizabilities of intermediate-size Si clusters

Journal Article · Sat May 01 00:00:00 EDT 1999 · Physical Review A

DOI:https://doi.org/10.1103/PhysRevA.59.3685· OSTI ID:337535

Jackson, K ^[1]; Pederson, M ^[2]; Wang, C; Ho, K ^[3]

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1. Department of Physics, Central Michigan University, Mount Pleasant, Michigan 48859 (United States)
2. Complex Systems Theory Branch, U.S. Naval Research Laboratory, Washington , D.C. 20375 (United States)
3. Ames Laboratory, U.S. Department of Energy and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011 (United States)

We have used a first-principles, density-functional-based method to calculate the electric polarizabilities and dipole moments for several low-energy geometries of Si clusters in the size range 10{le}N{le}20. The polarizability per atom is found to be a slowly varying, nonmonotonic function of N. Over this size range the polarizability appears to be correlated most strongly to cluster shape and not with either the dipole moment or the highest occupied{endash}lowest unoccupied molecular-orbital gap. The calculations indicate that the polarizability per atom for Si clusters approaches the bulk limit from above as a function of size. {copyright} {ital 1999} {ital The American Physical Society}

• OSTI ID: 337535
• Journal Information: Physical Review A, Vol. 59, Issue 5; Other Information: PBD: May 1999
• Country of Publication: United States
• Language: English

Related Subjects

66 PHYSICS
ELECTRIC MOMENTS
POLARIZABILITY
SILICON
ATOMIC CLUSTERS