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Akash Anil Laturia

Indirect to direct transition of the bandstructure


I am trying to simulate the  Si-channel UTB SOI .I hope to see the transition from indirect band-gap to direct band-gap as go for thicknesses below 3 nm. But I find the band-structure to be direct even for higher thicknesses like 5nm. Please let me know if I am considering anything incorrect.



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    Samik Mukherjee

    Hi Akash,
                   Thank you for your interest in Bandstructure lab.

      It is possible that the direct to indirect transition of Si UTB with thickness is due to passivation with oxygen instead of hydrogen in our passivation model.  Unfortunately we only have passivation with H , at the UTB end points. As you know SOI requires termination of Si with Oxygen bonds.   

     It would be interesting to consider O bond terminations .  We will consider adding this new feature of Si-O termination later.


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