材料期刊网

TIGHT BINDING STUDIES ON THE STRUCTURAL PROPERTIES OF SILICON CLUSTERS

W.Fa and C.L.Luo Departmentof Physics , Nanjing Normal University , Nanjing 210097 , China

金属学报(英文版)

Tight binding molecular dynamicsand simulated annealingtechniquesareemployed tostudythestructuralpropertiesofsilicon clusterscontaining 2 14 atoms.Itisfoundthatour results for Si2 Si6 agree well with thoseobtained using abinitiotechniques. Further Si cluster re search which givethesignificantprediction hasbeen made.

关键词: tight binding molecular dynamics( TBMD) , null