Abstract

In the context of Haldane–Anderson’s model, the transferred charge and the energy of adsorption of alkali metal and halogen atoms on the C and Si faces of the 3C-, 6H-, and 4H-SiC polytypes are estimated. The contributions of the band and local states to the formation of the charge of adatoms and the metallic and ionic components of the adsorption energy are clarified.

中文翻译：

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碳化硅多型对I和VII原子的吸附

摘要

在Haldane–Anderson模型的背景下，估计了3 C-，6 H-和4 H -SiC多型体的C和Si面上的转移电荷以及碱金属和卤素原子的吸附能。阐明了能带和局部态对吸附原子的形成以及吸附能的金属和离子成分的贡献。