Density functional study of silane adsorption onto Si(100) surface
學年 88
學期 2
出版(發表)日期 2000-07-17
作品名稱 Density functional study of silane adsorption onto Si(100) surface
著者 林志興; Lin, Jyh-shing; Kuo, Yu-tzu
單位 淡江大學化學學系
出版者 Elsevier
著錄名稱、卷期、頁數 Thin Solid Films 370, pp.192-198
摘要 Total energy pseudopotential calculations based on norm-conserving optimized pseudopotential and density functional theory (DFT) with generalized gradient approximation (GGA) have been used to study the possible pathway and corresponding energy barrier for the initial dissociative adsorption of silane (SiH4) onto Si(100)-(2×2) surface leading to the formation of SiH3 and H adsorbed on Si(100)-(2×2) i.e. Si(100)-(2×2)(SiH3:H). Our calculated results found that the formation of Si(100)-(2×2)(SiH3:H) after the SiH4 initial adsorption onto Si(100)-(2×2) surface is energetically favorable. Also the energy barrier, which is calculated to be around 0.72 eV (GGA), occurs due to the elongation of Si–H within SiH4 accompanying the unbuckling of the buckled Si=Si dimer on Si(100)-(2×2) surface. Finally, the reactive sticking coefficient for SiH4 on Si(100)-(2×2) is calculated to be around 3×10−6.
關鍵字 Silane;Silicon;Chemical vapor deposition;Chemisorption
語言 en
ISSN 0040-6090
期刊性質 國內
國別 TWN
出版型式 ,電子版

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