Messages

1

General Questions and Answers / Re: Bandstructure of Gated Graphene

« on: February 21, 2013, 14:52 »

Thank you so much Mr. Blom and Mr. kstokbro.
My mistakes was in the number of K-sampling.

2

General Questions and Answers / Re: Bandstructure of Gated Graphene

« on: February 20, 2013, 19:48 »

I don't understand,when the gate voltage is zero I expect  the fermi level will be zero, but in log file Ef=-1.081795 eV    .
And graphene without gate has Fermi Level  = -1.344273 eV. What's wrong?
I attach NetCDF file here.     

3

General Questions and Answers / Re: Bandstructure of Gated Graphene

« on: February 20, 2013, 15:30 »

Thank you!
In this example unit cell is cubic, but how can I define a gate for hexagonal unit cell of graphene?
Is it true that gate must be rhombus?
 

4

General Questions and Answers / Bandstructure of Gated Graphene

« on: February 16, 2013, 17:53 »

Dear sir,

I would like to calculate  the bandstructures of pristine graphene that lie on the gated substrate.Can do this calculation with QuantumWise?
Really, my purpose to get bandstructure is seeing the effect of gate voltage on Fermi energy (Ef) of graphene.