The interface electronic states and valence band offsets of the Si/GaP heterojunction
The interface electronic states and valence band offsets of the Si/GaP heterojunction
复制标题
Si/GaP异质结的界面电子态和价带偏移
DOI：
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发表时间：
1989
期刊：
影响因子：
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通讯作者：
Xun Wang
中科院分区：
文献类型：
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作者：
Chunhui Huang;L. Ye;Xun Wang
采用自洽的扩展Huckel理论结合团簇模型和平板模型计算了Si/GaP（111），Si/GaP（111）和Si/GaP（110）界面的电子结构.价带不连续性的值可以从计算的能带结构导出，并且被发现依赖于晶体取向，即对于Si/GaP（111）、Si/GaP（111）和Si/GaP（110），Δ Ev分别为0.88 eV、0.97 eV和0.87 eV。计算结果与实验结果吻合较好。界面电子态对于（111）、（111）和（110）界面是显著不同的，并且对能带结构具有强烈影响。
The electronic structures of Si/GaP(111), Si/GaP(111) and Si/GaP(110) interfaces have been calculated using a self-consistent extended Huckel theory combined with the cluster and slab models. The values of the valence band discontinuities could be derived from the calculated band structures and are found to be dependent on the crystal orientation, i.e. Delta Ev=0.88 eV, 0.97 eV and 0.87 eV for Si/GaP(111), Si/GaP(111) and Si/GaP(110), respectively. The results are in good agreement with the experimental observations. The interface electronic states are significantly different for the (111), (111) and (110) interfaces and have a strong influence on the energy band structure.