Density functional theory study of adsorption and dissociation of HfCl4 and H2O on Ge/Si(100)-(2x1):: Initial stage of atomic layer deposition of HfO2 on SiGe surface -: art. no. 142901

被引：10

作者：

Chen, W ^{[1
]}

Lu, HL ^{[1
]}

Zhang, DW ^{[1
]}

Xu, M ^{[1
]}

Ren, J ^{[1
]}

Zhang, JY ^{[1
]}

Wang, JT ^{[1
]}

Wang, LK ^{[1
]}

机构：

[1] Fudan Univ, Dept Microelect, State Key Lab ASIC & Syst, Shanghai 200433, Peoples R China

来源：

APPLIED PHYSICS LETTERS | 2005年 / 86卷 / 14期

关键词：

D O I：

10.1063/1.1899253

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

We have investigated adsorption and dissociation of water and HfCl4 on Ge/Si(100)-(2x1) surface with density functional theory. The Si-Ge heterodimer and Ge-Ge homodimer are employed to represent the Si1-xGex surface. The activation energy for adsorption of water on Ge-Ge homodimer is much higher than that on Si-Ge heterodimer. No net activation barrier exists during the adsorption of HfCl4 on both SiGe surface dimers. The differences in the potential energy surface between reactions on Si-Ge and Ge-Ge dimers are due to different bond strengths. It should also be noticed that the activation energy for HfCl4 is quite flat, thus HfCl4 adsorbs and dissociates on Ge/Si(100)-(2x1) easily. (C) 2005 American Institute of Physics.

引用

页码：1 / 3

页数：3

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