STRUCTURES AND PROPERTIES OF SI-13 ISOMERS

The structures and properties of several Si,, clusters are studied usi ng density functional calculations. The calculation results show that a newly discovered structure with C-s symmetry is energetically most f avorable. Our calculation also provides detailed information about the electronic and vibrational properties of the clusters which are usefu l for understanding the structure and stability of the cluster. (C) 19 98 Elsevier Science B.V. All rights reserved.