Topics

1

General Questions and Answers / gold_electyrode for graphene

« on: March 22, 2016, 13:06 »

hello 
        I m facing in making  gold electrode for graphene can u plz provide me any tutorial for graphene . its hard to place graphene in middle of gold electrode.
     regard
      yogita

2

General Questions and Answers / chemical potential

« on: November 20, 2015, 09:07 »

 hi,
           I was  read that in atk chemical potential is fermi level of electron . But I don't  know how   can we calculate it . kindly plz suggest me how can i calculate it( chemical potential of nitrogen taking as example) .
 regard
yogita

3

General Questions and Answers / magnetic moment

« on: October 1, 2015, 11:18 »

hello.. i m tried to find out magnetic moment of my defective graphene sheet but can't  due to error

"""  Traceback (most recent call last):
  File "c:\users\combo\appdata\local\temp\3484328881580631.py", line 20, in <module>
    density_up = electron_density.spinProjection(Spin.Up)
AttributeError: 'ElectronDensity' object has no attribute 'spinProjection'  "
 Kindly suggest me a way to tackle this problem. 


 

4

General Questions and Answers / carrier density

« on: August 26, 2015, 12:41 »

hello..
  I want to find carrier density of  nitrogen doped graphene sheet,  plz suggest me some method.. reply me as soon as possible ...
 regard
yogita

5

General Questions and Answers / 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.

6

General Questions and Answers / nitrogen defect

« on: August 24, 2015, 09:14 »

hello
i want to find transport properties by  extended huckel device  method , can anybody tell me what is the  nitrogen atom basis type for vacuum level in  huckel basis set ? plz reply as soon as .........

7

General Questions and Answers / I-V characterstic

« on: August 7, 2015, 09:44 »

hello...
         I  m trying to plot I-V CURVE for a defected graphene sheet . my calculation was done without any error but i m unable to see  transmission spectrum plot   nor I- V curve. In analyzer show conductance is very low in NAN S . Kindly suggest a way to tackle this problem as soon as possible...........
 

8

General Questions and Answers / graphene sheet defect

« on: August 5, 2015, 09:16 »

 I want to create pyrollic defect in a graphene sheet . In pyrollic defect I doped one  nitrogen atom  and deleted one atom  and change there coordinate of doped  atom , but when i perform optimization through optimizegeometry option . In my my stabilized bulk configuration  whose atom  coordinate I changed return back to there original position. i don't want it to return back it's original postion . Both before and after optimization bulk configuration i attached  1 ) without optimization 2) with optimization. kindly suggest a way ......

9

General Questions and Answers / capacitor

« on: July 23, 2015, 08:38 »

I want to do modelling of  capacitor using atk software   and also find  electrical  properties is it possible...
I have 8 month to do all that work......