Marolop Simanullang @ on
Confusing simulation results
Dear Sir/ Madam
This is Marolop again. I hope you will not get bored of answering my questions (_). I’m simulating germanium-based nanowire using band structure lab. I modulate the nanowire diameter (10 nm, 9 nm, 8 nm, 7 nm, and 6 nm). I want to observe the relation between band gap and diameter of germanium nanowire. Here are the simulation results that I obtained. * For diameter of 10 nm, conduction band minima = 1.50783 eV, valence band maxima = 0.71326 eV, and bandgap = 0.794572 eV. * For diameter of 9 nm, valence band minima = 0.70368 eV (there are no conduction band and band gap). * For diameter of 8 nm, conduction band minima = 1.5354 eV (there are no valence band and band gap). * For diameter of 7 nm, there’s no result at all. * For diameter of 6 nm, valence band minima = 0.64177 eV (there are no conduction band and band gap).
Another confusing part is about the valence band minima. We will be able to calculate band gap if we know the value of conduction band minima and valence band maxima. But simulation result for diameter of 9 nm and 6 gave values of valence band minima.
Anybody can help me to understand this simulation result? They are really confusing. I can’t plot the result in a graph. Thanks.
Yours sincerely,
Marolop
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Abhijeet Paul @ on
Thanks for brining this to our notice. I think this failure is more related to job-submission rather than bandstructure lab failure. We will take a look at this. For what particular purpose you need to run these simulations. This kind of random failure is mostly related to job submission failure.
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Marolop Simanullang @ on
Thank you very much for your reply. I’m experimenting germanium nanowire. There are some parameters that I really want to know, namely: 1. The relation between bandgap energy and diameter of nanowire 2. The relation between effective mass and diameter of nanowire 3. Which orientation that will give us the highest mobility (smallest effective mass)
That’s my purpose of running the simulation but so far, I just have obtained relation between bandgap and diameter (ranging from 1 nm to 7 nm) for (100) direction. About effective mass, I found that the information about effective mass only at valence band (it means they are holes). How about the information of effective mass at conduction band? Thank you very much for your kind attention.
Best regards,
Marolop
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