Binding energies and electron affinities of small silicon clusters (<i>n</i>=2–5)
Larry A. CurtissChemical Technology Division/Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439-4837Peter W. DeutschPhysics Department, Penn State University, Monaca, Pennsylvania 15061Krishnan RaghavachariAT&T Bell Laboratories, Murray Hill, New Jersey 07974
1992en
ABI
Abstract
The Gaussian-2 (G2) theoretical procedure, based on ab initio molecular orbital theory, is used to calculate the energies of Sin and Si−n (n=1–5) clusters. The G2 energies are used to derive accurate binding energies and electron affinities of these clusters. The calculated electron affinities of Si2–Si4 are in agreement to within 0.1 eV with results from recent photoelectron spectroscopic measurements.
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