PREDICTIONS OF THE GROUND STATE STRUCTURES OF SMALL SILICON-CARBON $CLUSTERS.^{1}$
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Date
1993
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
As a result of the information gathered from our recent matrix Fourier transform and ab initio studies on the vibrational spectra and structures of tri-atomic ($SiC_{2}, Si_{2}C$), tetra-atomic ($Si_{3}C, Si_{2}C_{2}$), and penta-atomic ($Si_{2}C_{3}$). silicon/carbon clusters, plus existing experimental data and theoretical calculations on other members of these three-($C_{3}, Si_{3}$), four- ($C_{4}, SiC_{3}, Si_{4}$), and five- atom ($C_{5}, SiC_{4}, Si_{5}$) groups, it is evident that when trying to predict the ground state structure of a silicon-carbon cluster with more than three atoms, not all possible isomeric structures have to be considered. In general, the ground state structure of a particular cluster can be deduced from the structure of either the pure carbon or the pure silicon cluster with the same number of atoms. Observed and expected trends for the structures of mixed silicon-carbon clusters of up to seven atoms in going from their pure carbon to pure silicon counterparts will be discussed.
Description
$^{1} Work$ supported by the Welch Foundation, the W. M. Keck. Foundation and the T. C. U. Research Fund.
Author Institution: Phillips Laboratory, OLAC PL/RKFE; Department of Physics, Texas Christian University.
Author Institution: Phillips Laboratory, OLAC PL/RKFE; Department of Physics, Texas Christian University.