QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: anshul34 on August 17, 2012, 11:34

Title: atk and vnl
Post by: anshul34 on August 17, 2012, 11:34

Dear Quantum wise,
 
i am new in quantum Wise ATK so that i have alot question in  atk.

 can u give me  answer of these question.

1. chemical potential
2. P DOS(PROJECT  DOS)
3. Bloch state
4. how many no. of electrode on device configuration
5. we can calculated non linear i-v char. of  any diode (p-n , tunnel diode)
6.diff. b/w bottom and top approach or atk depend on which approach.
7.you have any manual of diode configuration like as - P-N DIODE.
8.is it possible to include new molecule in  vnl database 
 
Thanks &  regards

Title: Re: atk and vnl
Post by: zh on August 17, 2012, 12:48

1. chemical potential in the ATK is indeeds  the Fermi level of electrons.
2. PDOS ---> the density of states projected on the atoms ( or the orbitals of atoms);
3. Bloch state: please refer to the book of solid state physics.
4.  At the present stage, only two electrodes  are included in a device configuration.
....
..
8. Of course, it is possible to import a new molecule into VNL.