Wish List - Resource ID 0: Wish #9

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Neelanjan Bhattacharya

Expand materials to include CdTe

Is it possible to simulate CdTe nanowire through the bandstructure lab? That will be tremendous help. Thanks in advance. (Reposted from https://nanohub.org/answers/question/181)

Comments (1)

  1. Abhijeet Paul

    This is a good request but we can expand the material database only when we understand why it is needed since we also need proper Tight-binding parameters to obtain correct results. So implementing a new material involves having proper experimental results on electronic structure of the material as well as correct TB parameters. There should be a clear goal why a new material set is needed and we can work closely with the user in implementing that.

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    1. Gerhard Klimeck

      What we really need to get started on is using the material database that Ben has built. So we add materials in one place and can use it in multiple tools. To do this right, this might take a little time. Otherwise we will just be patching more and more codes.

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