Density functional study of structural and electronic properties of silane adsorbed Si(100) surface
學年 88
學期 1
出版（發表）日期 2000-01-01
作品名稱 Density functional study of structural and electronic properties of silane adsorbed Si(100) surface
作品名稱（其他語言）
著者 林志興; Lin, Jyh-shing; Chen, Cheng-ji; Lee, Ming-hsien; Lee, Kuo-hwa; Kuo, Yu-tzu
單位 淡江大學化學學系
出版者
著錄名稱、卷期、頁數 Journal of Molecular Structure : Theochem496, pp.163-174
摘要 Ab initio total energy calculations based on a norm-conserving optimized pseudopotential and density functional theory with a generalized gradient approximation (GGA) have been used to study the structures and energetics in connection with Si(100) surface and the silane (SiH4) adsorbed Si(100) surface. The electronic properties, i.e. layer-resolved density of state and atomic-resolved density of state, of Si(100)-(2×2) surface and Si(100)-(2×2) (SiH3:H) surface have been calculated. The surface electronic states arising from the buckled SiSi dimer are characterized to illustrate the bonding nature of Si(100)-(2×2) and Si(100)-(2×2) (SiH3:H).
關鍵字 Density functional theory;Pseudopotential;Chemical vapor deposition;Silane;Si(100) surface;Density of state
語言 en
ISSN
期刊性質 國內
收錄於
產學合作
通訊作者
審稿制度 否
國別 TWN
公開徵稿
出版型式 ,電子版
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