Author Topic: atk and vnl  (Read 2755 times)

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Offline anshul34

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atk and vnl
« 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

Offline zh

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Re: atk and vnl
« Reply #1 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.
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8. Of course, it is possible to import a new molecule into VNL.