Greetings,
I am currently engaged in research involving novel heterostructures composed of various materials. In my investigation, I have observed that the Valence Band Maximum (VBM) and Conduction Band Minimum (CBM) of both parent materials are initially located at the K points. However, upon forming the heterostructures, there is a noticeable shift in the VBM and CBM to the G point. I would greatly appreciate it if anyone could recommend relevant literature or share similar findings. Thank you.
But why do you expect this to be wrong?
The heterostructure might have a different symmetry with respect to the parents.
Maybe if you look at the projection of the bands on the different atoms, you might discover how forming the heterostructure the atomic contribution changes and how the band moved to the Gamma point.
I hope this helps,
Roberto
Roberto D'Agosta Dear Professor, I'm not thinking that this might be wrong. In fact, I am attempting to create heterostructures to explore their novel properties. I am also moving towards further verification, and your answer will definitely be helpful to me. Thank you. However, I am a bit confused because I am not finding literature on this topic.
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