Topics

1

Scripts, Tutorials and Applications / Graphene_MoS2 interface with electrode

« on: April 3, 2017, 22:20 »

I am trying to put graphene on the top of MoS2. Then, using device from bulk to add electrode. But, it was not letting me to do that. Following steps I followed,

1. Add graphene and MoS2 from database
2. Deleted one layer of MoS2
3. Graphene is on MoS2 using Interface tool and displacement tool is used to make the separation between them
4. Then structure was created and repeated to make it large
5. swap axes B<C and Y<Z

Please have a look into the attached python file.

2

General Questions and Answers / Calculate Ion and Ioff values of GFET

« on: September 29, 2015, 18:58 »

Dear Dr. Blom,

How could I calculate Ion and Ioff values of GFET  following the tutorial available in the web. Also, how could I plot drain-source (Vds) VS drain current?

3

General Questions and Answers / Transmission Spectrum of Graphene-Nickel Interface

« on: March 19, 2015, 02:20 »

I was trying to reproduce transmission spectrum from Kurt Stokbro et.al.  I tried to optimize the structure geometry first then simulated for 401 k-point sampling.  Exchange correlation LSDA and FFT as Poisson solver were used. But the thing was that transmission spectrum was not the same as the paper. Please help me on this topic.