Twenty six stable structures for cluster Si-10: A full-potential linear-muffin-tin-orbital molecular-dynamics study

Authors
Li, BX Cao, PL Jiang, M
Citation
Bx. Li et al., Twenty six stable structures for cluster Si-10: A full-potential linear-muffin-tin-orbital molecular-dynamics study, PHYS ST S-B, 218(2), 2000, pp. 399-409
Citations number
32
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICA STATUS SOLIDI B-BASIC RESEARCH
ISSN journal
03701972 → ACNP
Volume
218
Issue
2
Year of publication
2000
Pages
399 - 409
Database
ISI
SICI code
0370-1972(200004)218:2<399:TSSSFC>2.0.ZU;2-W
Abstract
Using full-potential linear-muffin-tin-orbital molecular-dynamics (FP-LMTO- MD) method, we have pel fur mcd calculations on twenty six structures for c luster Site. Most of them are new structures. Its ground state structure (a tetracapped trigonal prism C-3v) is in agreement with that ever put forth previously Some of them are almost isoenergetic with the ground state struc ture.