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Author Topic: I-V characterstic  (Read 1575 times)

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Offline yogita taluja

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I-V characterstic
« on: August 25, 2015, 16:53 »
hi..
   i m trying to find out i-v characteristic of porphyrin defect in graphene sheet but i was calculate it with DFT calculation it done without error but transmission spectrum  not shown in plot . but when i was calculate it with extended huckel device  method  I got the plots. can anybody tell me what is the reason of it.
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Offline Jess Wellendorff

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Re: I-V characterstic
« Reply #1 on: August 26, 2015, 08:19 »
We would need to see the DFT script in order to answer this.

A note: Your electrodes to not look right. They are way too short along Z, and they do not properly replicate the nanosheet lattice.
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Offline Anders Blom

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Re: I-V characterstic
« Reply #2 on: August 26, 2015, 15:17 »
There are so many things wrong with this calculation, that I don't know where to start... Or rather - I do: please read our tutorials first.
Then you will learn:
* Your electrode is not graphene - repeat them in C and it's obvious
* You cannot have so short electrodes
* Your defect cannot be so close to the electrode
* Your central region is too short
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