direction of voltage

Asked by maluneelambari on 2019-01-23

What is the direction of voltage which we are giving in transiesta calculation?

Question information

English Edit question
Siesta Edit question
No assignee Edit question
Last query:
Last reply:

This question was reopened

Nick Papior (nickpapior) said : #1

In Siesta 4.0 the voltage drop is along the 3rd lattice vector.

In Siesta 4.1 there is no *unified* direction as there may be any N electrodes. And thus it depends on your semi-infinite directions.

Thanks Nick Papior, that solved my question.

Is this voltage is per Angstrom ? Can I convert corresponding to 1V as electric field as 1ev/A^0 ?

Nick Papior (nickpapior) said : #4

It is the difference between the two leads chemical potentials. The (local) electric field can be extracted from the potential profile.

I didn't get how to do this . Can you explain me how to extract this?

Nick Papior (nickpapior) said : #6

You may see details regarding potential drop in the TS_02 tutorial for the TS-TBtrans-sisl tutorials:

Once you have the potential profile you should easily be able to calculate the electric field using the standard formula.

Can you help with this problem?

Provide an answer of your own, or ask maluneelambari for more information if necessary.

To post a message you must log in.