Publication
The Journal of Chemical Physics
Paper

Thirteen-atom clusters: Equilibrium geometries, structural transformations, and trends in Na, Mg, Al, and Si

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Abstract

We report the results of an extensive structural study of Na13, Mg13, Al13, and Si13 carried out with the Car-Parrinello method. Several and mostly unforeseen noncrystalline structures are discovered to characterize the low portion of the potential energy surface. Crystalline structures are shown either to correspond to high-energy local minima or to be highly unstable. The low-energy structural pattern appears to change significantly from one element to the other. Specific characteristics as well as trends are discussed. © 1992 American Institute of Physics.

Date

01 Jan 1992

Publication

The Journal of Chemical Physics

Authors

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