A full-potential linear-muffin-tin-orbital molecular-dynamics study of the fourteen stable structures for cluster Si9

✍ Scribed by Bao-xing Li; Min Qiu; Pei-lin Cao

• Publisher: Elsevier Science
• Year: 1999
• Tongue: English
• Weight: 155 KB
• Volume: 256
• Category: Article
• ISSN: 0375-9601
• DOI: 10.1016/s0375-9601(99)00249-2

✦ Synopsis

Using the full-potential linear-muffin-tin-orbital molecular-dynamics FP-LMTO-MD method, we have performed calculations on the structures and energies of the small silicon cluster Si . Fourteen stable structures for the Si cluster have 9 9

been obtained, including all the five structures ever reported before. The bicapped pentagonal bipygramid, which has not been reported yet, is the most stable among the fourteen structures.