Messages

1

General Questions and Answers / Re: about silicene

« on: May 7, 2011, 08:37 »

Thank you for your response sir...
 but sir can you plz tell me how can we perform convergence test calculation for the setup of k-mesh and mesh cut-off..............

2

General Questions and Answers / about silicene

« on: May 3, 2011, 08:23 »

Dear sir,
I want to know that for silicene ,what values of k-point are suitable.

3

General Questions and Answers / Re: regarding to band structure

« on: April 11, 2011, 12:46 »

thank you sir....

4

General Questions and Answers / Re: regarding to band structure

« on: April 5, 2011, 16:06 »

ok i understand ...but my another question is that
 can we plot the transmission spectrum of these type of structures directly and density of states also??

one more help
can you sugest me a good book for understanding band structures???

5

General Questions and Answers / Re: regarding to band structure

« on: April 5, 2011, 15:14 »

thanks for your motivation,,,,but in some papers they use this type geometry and calculate band structure how is that possible...then?

6

General Questions and Answers / Re: regarding to band structure

« on: April 5, 2011, 15:09 »

dear andres blom sir i am waiting for your response.....................

7

General Questions and Answers / Re: regarding to band structure

« on: April 5, 2011, 14:09 »

sir i have one other question also...
i am generating a z-shape graphene ribbon...for that firstly i generate graphene nano-ribbon using custum-builder and then i translate the atoms to generate the structure(image attached below) and then generate the band structure of that distorted ribbon....while calculating bandstructure the default brillion zone route is (G,Z) and i am getting a flat bandstructure..i am attaching the image of that structure.....
so my question is that how i will calculate the correct bandstructure...and  what  must be brillion zone route

8

General Questions and Answers / regarding to band structure

« on: April 5, 2011, 10:40 »

can any tell me what the band structure in the below image explain

9

General Questions and Answers / Re: boron doped graphene

« on: April 5, 2011, 09:04 »

sir i tried what you suggest.....but still i am not getting....any way thank you sir for you nice suggestion......................

and thank you sunray55.................

10

General Questions and Answers / Re: boron doped graphene

« on: April 4, 2011, 10:24 »

plz sir if you understand what i want to ask them plz give me reply..........

11

Scripts, Tutorials and Applications / Re: custom analyzer script for calculating the band gap of a band structure

« on: April 4, 2011, 09:58 »

sir when i am using this sc ript i am fetting the following error...


NL.ComputerScienceUtilities.Exceptions.NLError: No configurationGenerator defined. Use the method 'setConfigurationGenerator()'
to set a configurationGenerator

12

General Questions and Answers / boron doped graphene

« on: April 4, 2011, 09:34 »

dear sir,

i am realizing a paper "Making a field effect transistor on a single graphene nanoribbon by selective doping"(Applied Physics Letters
Vol. 91(25), 253122) ...to generate the same structure i generate a graphene nano-ribbon and the send it to builder and then replace carbon atom by boron atom(the image is also attached)...i want to wheather this procedure is correct or wrong?

and my second problem is that if that is the correct procedure then i not getting the desired band-spectrum......i select all parameters as given in the paper ..the mess cut-off 100 Ry ...and i also optimize the geometry.....

thanking you sir...

13

General Questions and Answers / graphene pn juction diode

« on: April 1, 2011, 13:09 »

how can we make a pn juction diode using graphene.....

14

General Questions and Answers / Re: Regrading to brillion zone route

« on: April 1, 2011, 07:19 »

thank you sir....but i have given my thesis topic so i have to found something in graphene.....but thank you sir for your support and suggestions..
you are such a nice person...
thanking you sir

 

15

General Questions and Answers / Re: Regrading to brillion zone route

« on: March 31, 2011, 15:02 »

thank you sir....again you help me a lot.....and plz suggest me a some topics on graphene on which i can work...and sir from where i will gate the information about the paper published on graphene using atk.....plz suggest me a topic sir...

thanking you sir...........