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chengjie zhu

How to distinct the conducting band and valance band

I am glad to use this tool. I have calculated 7 bands accordingto the default configuration. However, i can not distinct the conducting band and valvance band. Furthermore, i want to know which ones are the hold states and electron states.

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    Xufeng Wang


    I’m not sure if I understood your question fully, but allow me to try to address what might be the problem.

    If you run the default inputs, and you look at “energy states” plot, what you will see on the right side is the energy levels, and left side is a zoomed out version of it. You can slide up and down at the left side to see a specific region of the energy states. If you slide all the way down, you will see the ground state.

    Remember that this is a quantum dot simulator, which the structure is confined in all x,y,z directions. Therefore, periodic boundary condition cannot be applied to any of these directions, so there is no such thing as a E vs. k (bandstructure) in this case because concept of “k” doesn’t apply here in any of these directions. Instead, all you get is atomic like energy levels (or states) which is what you see in the simulator’s outputs. A 0-dimension problem it is.

    Hope it helps.

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