How to do I- V measurements

[premkumar85]

i have finished 0V studies on a gold two probe system. Now i would like to apply some potential and calculate transmission spectrum,current, etc. For example if i wish to do 1V is it necessary to run a scf and then to do current and transmission calculations?

Thanks in advance.

[zh]

Of course. You should first do the self-consistent calculation for the bias voltage of 1.0 V and then perform the current or transmission spectrum calculations.

[serhan]

Hi premkumar85,

For each applied voltage bias, the software calculates the electron density, etc... and writes these properties to a file with an extension "nc". For each voltage different applied voltage value, the whole scf calculation must be re-calculated since the electron density in the scattering region also changes in ATK, which makes ATK a realistic calculation environment.

However, to shorten the calculation time, you can use a previously converged simulation's results (nc file) as a starting guess for the other voltage levels (of course for the same geometry). For more information please look at the manual for restoreSelfConsistentCalculation function.

Cheers,
Serhan