Author Topic: Thin film deposition of Sn on CdTe  (Read 88 times)

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Offline ashokgrg19

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Thin film deposition of Sn on CdTe
« on: August 13, 2017, 22:48 »
I am wondering, What kind of potential we need for the thin film deposition of Sn on CdTe? It is because there is no potential  available for thin film deposition of Sn on CdTe.
Thnaks,
Ashok

Offline Ulrik G. Vej-Hansen

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Re: Thin film deposition of Sn on CdTe
« Reply #1 on: August 14, 2017, 09:24 »
You need a potential, of any relevant type, that is designed to model those three elements, and their interactions, well. You can implement your own potentials in ATK, so I suggest that you search the literature for such a potential - it might be out there already.

Offline ashokgrg19

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Re: Thin film deposition of Sn on CdTe
« Reply #2 on: September 6, 2017, 16:27 »
Thank you for the information, actually I have searched the literature, and I found that very few numbers of works are done  with this element. I don't know how can create my own potential using quantumwise sowftware.
Recently, I am trying to do thin film deposition of Sn on Corundum(Al203),but I keep getting this kind of error massage " Total                   :      37.34 s
Traceback (most recent call last):
  File "Cltestn3.py", line 742, in <module>
    method=method
  File ".\zipdir\NL\Dynamics\MolecularDynamics\MolecularDynamics.py", line 388, in MolecularDynamics
  File "Cltestn3.py", line 664, in __call__
    next_element = possible_elements[element_index]
IndexError: list index out of range" .
so, my question is whether my scripts file hasn't written properly OR something else.
I would really appreciate if you go through my scripts file once.
Thank you once again.

Offline Ulrik G. Vej-Hansen

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Re: Thin film deposition of Sn on CdTe
« Reply #3 on: September 7, 2017, 11:18 »
The problem originates from the fact that the original script is written for depositing a compound with two elements. It therefore contains a mechanism to switch between the two elements, but as you have only one element, this switching causes it to call an index which does not exist in your list of elements.

The simple solution is to simply comment out this line: (line 707 in my version)
Code: [Select]
            self._deposited_index += 1
You might want to do a little more cleaning up, but it should not be necessary.

Creating a new potential from scratch is not something we include in our software yet, but it is something we would like to do in the future. However, it is a long and complicated process, if the potential is to be completely reliable.
« Last Edit: September 7, 2017, 11:21 by Ulrik G. Vej-Hansen »