Messages

1

General Questions and Answers / Re: A question about device configuratons

« on: August 23, 2016, 04:20 »

Your device configuration represents a thin piece of intrinsic semiconductor sandwiched between two electrodes that both contain some concentration of impurity atoms. The length of the doped electrodes is the electrode length + electrode extension length. Only the scattering region contains intrinsic semiconductor.

Please note that there is another way to introduce doping in the VNL Builder: http://docs.quantumwise.com/tutorials/nisi2-si/nisi2-si.html#dope-the-device

Thanks for your advice !

2

General Questions and Answers / A question about device configuratons

« on: August 22, 2016, 06:04 »

Dear all !
         As we know,for numerical stability reasons, in ATK there is a region inside the central region where the atom positions are fixed to match the electrodes in device configurations, these are the electrode extensions.
        So, when we dope the electode (for instance,doping the WS2 semiconductor like the image below) there must be a dopant atom in the central region .
        In this case, it is equivalent to doping the central region as well ?  In this model, what we studied is a intrinsic semiconductor or a doped semiconductor?

3

General Questions and Answers / Re: How to identify the bandstructure of a specific material

« on: May 30, 2016, 11:56 »

http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.projectionlist.html

thanks a lot

4

General Questions and Answers / How to identify the bandstructure of a specific material

« on: May 28, 2016, 14:28 »

Dear all !
         I have calculated the  bandstructure of a heterogeneous interface--WS2/metal contact, how to identify the bands of WSe2 in my resurt?ATK  has some tools to do this?like DOS analyzer

5

General Questions and Answers / Re: macroscopic average for ElectrostaticDifferencePotential

« on: May 13, 2016, 12:58 »

Thanks  Martinez

6

General Questions and Answers / macroscopic average for ElectrostaticDifferencePotential

« on: May 13, 2016, 09:39 »

Dear all
     I am using a 1D projector to plot ElectrostaticDifferencePotential ,you know,the wiggles are too heavy .
     How to obtain macroscopic average along C direction? could you give a script ? thanks!

7

General Questions and Answers / Storage of orbitals in real space is disabled.

« on: May 4, 2016, 16:05 »

Hi quantumwise
  When calculate CurrentDensity ,In the log file:

                            |--------------------------------------------------|
Current Density Matrix     : ==================================================
+------------------------------------------------------------------------------+
|                                                                              |
| Size of dense matrices =  1240 x  1240 [23 MB per matrix]                    |
|                                                                              |
+------------------------------------------------------------------------------+
+------------------------------------------------------------------------------+
|                                                                              |
| Storage of orbitals in real space is disabled.                               |
| Enabling storage requires an additional     1 MB.                            |
|                                                                              |
+------------------------------------------------------------------------------+
+----------------------------------------------------------+
| CurrentDensity Report - No additional information        |
+----------------------------------------------------------+
How to sover this problem? please