The structures of P-8 and P-9 clusters

Citation
B. Song et al., The structures of P-8 and P-9 clusters, PHYS ST S-B, 226(2), 2001, pp. 305-314
Citations number
37
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICA STATUS SOLIDI B-BASIC RESEARCH
ISSN journal
03701972 → ACNP
Volume
226
Issue
2
Year of publication
2001
Pages
305 - 314
Database
ISI
SICI code
0370-1972(200108)226:2<305:TSOPAP>2.0.ZU;2-#
Abstract
Full-potential linear-muffin-tin-orbital molecular-dynamics (FP-LMTO MD) ca lculations have been performed to investigate the structures and energies o f P-8, and P-9 clusters. We get fourteen stable structures for P-8 and fift een stable structures for P-9. The results confirm that "cuneane" structure is the most stable isomer of P-8 clusters. However, the distortion of a D- 3h Prism, which has not been reported so far, is the most stable among the fifteen P-9 isomers.