Author Topic: Some basic questions about photocurrent  (Read 588 times)

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Offline zhangguangping

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Some basic questions about photocurrent
« on: February 7, 2019, 04:50 »
Dear ATK developers:

Recently, I have dug on the function of photocurrent implemented in QuantumATK 2018.06. But, I have a few confusing questions about this function.

1) The manual gives the formula about how to calculate photocurrent,

I_{\alpha, \sigma} = \frac{e}{\hbar}\int \frac{dE}{2\pi}\sum_{k} T_\alpha(E, k, \sigma).

What are the lower and upper limits of the integral?

2) The obtained photocurrent from the above formula is just a photo induced current, which is a correction to the bias induced correction, Right? That is, the photocurrent does not contains the bias induced current.

3) How does the photocurrent flow, that is the flow direction, through a molecular junction, for zero bias and a finite bias?

4) On can only include the bias effect on photocurrent by using a *hdf5 file for a two probe junction converged under a bias?

Can you please kindly provide some more elementary tutorials or instructions or readings on photocurrent about, for example, the mechanism, etc.

With best regards,

/Guang-Ping Zhang

Offline Daniele Stradi

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Re: Some basic questions about photocurrent
« Reply #1 on: February 7, 2019, 10:16 »
Dear Guang-Ping Zhang,

A good place to start would be the reference paper for the photocurrent module :

"Efficient First-Principles Calculation of Phonon-Assisted Photocurrent in Large-Scale Solar-Cell Devices"

And the associated tutorial and webinar: