期刊
CRYSTAL GROWTH & DESIGN
卷 10, 期 9, 页码 4123-4134出版社
AMER CHEMICAL SOC
DOI: 10.1021/cg100804v
关键词
-
资金
- Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen)
- Scientific Research Flanders (FWO)
- IAP-P6/42 project
The behavior of hydrocarbon species at step edges of diamond terraces is investigated by means of combined molecular dynamics-Metropolis Monte Carlo simulations. The results show that the formation of ballas-like diamond films (like UNCD) and well-faceted diamond films (like NCD) can be related to the gas phase concentrations of CxHy in a new manner: Species that have high concentrations above the growing UNCD films suppress the extension of step edges through defect formation. The species that are present above the growing NCD film, however, enhance the extension of diamond terraces, which is believed to result in well-faceted diamond films. Furthermore, it is shown that, during UNCD growth, CxHy species with x >= 2 play an important role, in contrast to the currently adopted CVD diamond growth mechanism. Finally, the probabilities for the extension of the diamond (100) terrace are much higher than those for the diamond (111) terrace, which is in full agreement with the experimental observation that diamond (100) facets are more favored than diamond (111) facets during CVD diamond growth.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据