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期刊论文
Density functional theory study of adsorption and dissociation of HfCl4 and H2O on Ge/Si (100)-(2
APPLIED PHYSICS LETTERS 86, 142901(2005)，-0001，（）：
We have investigated adsorption and dissociation of water and HfCl4 on Ge/Si(100)-(231) 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)-(231) easily.
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