Abstract

The metallic ion components of the absorption energy of Ga and Cl atoms on C and Si faces of p- and n-SiC have been calculated in the framework of the Haldane–Anderson model. It is shown, first, that the ion contribution is higher than the metallic contribution in all cases under consideration. Second, the binding energy of Ga adatoms during adsorption on p-SiC is higher than that of Cl adatoms, while, in the case of adsorption on n-SiC, the opposite situation is observed. A simple ionic model of adsorption of a GaCl molecule on silicon carbide has been proposed. The comparison with the results of other authors demonstrates the acceptability of the proposed models.

中文翻译：

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Ga和Cl原子以及GaCl分子在碳化硅上的吸附：模型方法

摘要

在Haldane-Anderson模型的框架内，计算了p-和n -SiC的C和Si面上Ga和Cl原子吸收能量的金属离子成分。首先表明，在所有考虑的情况下，离子的贡献都高于金属的贡献。其次，在p -SiC吸附过程中，Ga吸附原子的结合能比Cl吸附原子高，而在n -SiC吸附情况下，则观察到相反的情况。已经提出了在碳化硅上吸附GaCl分子的简单离子模型。与其他作者的结果进行比较证明了所提出模型的可接受性。