Messages

16

General Questions and Answers / Band Structure and Density of States

« on: March 19, 2020, 20:49 »

I made a structure of doped graphene and obtained its bandstructure and DOS. bandstructure is showing a bandgap of 0.45eV whereas at the same energy level the DOS chart showing some states instead of being value zero. I have all attached all the pictures. Can anybody tell me the reason?

17

General Questions and Answers / Re: Longitudinal and Transverse effective mass of graphene

« on: March 19, 2020, 20:38 »

When I make armchair graphene nanoribbon using a nanoribbon plugin instead of a graphene sheet that case, we obtain the bandstructure that has parabolic structure.  Does that formula I depicted above will stay right in this case? I attach the pic of that bandstructure  ( bandgap occur due to doping)

18

General Questions and Answers / Re: Longitudinal and Transverse effective mass of graphene

« on: March 16, 2020, 23:33 »

Sir , I want to calculate effective DOS which is different from the conventional DOS as shown in link 1 . For which I need effective DOS mass which calculated in Link2.
[1] https://ecee.colorado.edu/~bart/book/ex019.htm
[2] https://docs.quantumwise.com/tutorials/effective_mass/effective_mass.html

19

General Questions and Answers / Re: Error during runing

« on: March 14, 2020, 01:49 »

Can anyone please help regarding this.

20

General Questions and Answers / Re: Longitudinal and Transverse effective mass of graphene

« on: March 14, 2020, 01:47 »

Thanks a lot for your help, sir. Actually I want to calculate effective density of states of electrons and holes (Nc and Nv) for which I need Longitudinal and Transverse effective mass of grapheneKPM

21

General Questions and Answers / Error during runing

« on: March 13, 2020, 01:02 »

Hi during the execution  it shows the following error. Plz Help
Traceback (most recent call last):
  File "zipdir\NL\GUI\Menus\SendToMenu.py", line 233, in showWindow
  File "zipdir\NL\GUI\MainWindow\MainWindow.py", line 1011, in jobManager
  File "zipdir\NL\GUI\MainWindow\MainWindow.py", line 1026, in jobManagerReference
  File "zipdir\NL\GUI\MainWindow\MainWindow.py", line 1043, in singletonTool
  File "zipdir\NL\GUI\Tools\JobManager\JobManager.py", line 271, in __init__
  File "zipdir\NL\GUI\Tools\JobManager\JobManager.py", line 421, in loadSettings
  File "zipdir\NL\GUI\Tools\JobManager\JobManager.py", line 390, in settings
  File "zipdir\NL\IO\NLSaveUtilities.py", line 902, in nlread
  File "zipdir\NL\IO\HDF5.py", line 531, in readHDF5
  File "zipdir\NL\IO\HDF5.py", line 409, in __init__
  File "zipdir\NL\IO\HDF5.py", line 163, in __init__
  File "build\lib\site-packages\h5py-2.7.1-py3.6-win-amd64.egg\h5py\_hl\files.py", line 269, in __init__
  File "build\lib\site-packages\h5py-2.7.1-py3.6-win-amd64.egg\h5py\_hl\files.py", line 99, in make_fid
  File "h5py\_objects.pyx", line 54, in h5py._objects.with_phil.wrapper
  File "h5py\_objects.pyx", line 55, in h5py._objects.with_phil.wrapper
  File "h5py\h5f.pyx", line 79, in h5py.h5f.open
OSError: Unable to open file (file signature not found)

22

General Questions and Answers / Re: Longitudinal and Transverse effective mass of graphene

« on: March 13, 2020, 00:29 »

Hi,  actually I want to calculate the effective mass at the bottom valley of the conduction band of bandstructure of graphene which is at K point and in the direction from K to M point. Also, I want to find the electron affinity of this monolayer

23

General Questions and Answers / Longitudinal and Transverse effective mass of graphene

« on: March 11, 2020, 20:46 »

how can we calculate Longitudinal and Transverse effective mass of graphene. Can anyone help

24

General Questions and Answers / calculation electron affinity of graphene

« on: March 11, 2020, 19:28 »

Hi! I want to calculate electron affinity of  analyte adsorbed graphene monolayer . Can anyone tell me what is accurate way to do so.
thnks