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论文类型： 期刊论文

发表时间： 2013-11-18

发表刊物： APPLIED PHYSICS LETTERS

收录刊物： SCIE、EI、Scopus

卷号： 103

期号： 21

ISSN号： 0003-6951

摘要： The oxidation processes of stepped SiC(0001) surfaces are studied within the ab initio atomistic thermodynamics approach. Our calculations show that a one-dimensional -Si-O-chain structure as a precursor for oxide growth on stepped SiC surfaces is formed along the step edge, promoting further oxidation of the step edges. Following the modified Deal-Grove oxidation model, we also find that the oxidation rate at steps is higher than that at terraces by three orders of magnitude. These findings give a reasonable explanation for the oxide thickness fluctuation between the step and the terrace observed in the previous experiments. (C) 2013 AIP Publishing LLC.