Author Topic: Simple graphene nanoribbon inelastic transmission spectrum  (Read 72 times)

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Offline narin

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Hi

I've tried the transmission spectrum of a simple zigzag graphene nanoribbon and obtained the transmission spectrum as expected. I now want to compute the inelastic transmission spectrum (i.e. transmission spectrum with the effects of phonons), how can I make this calculation in QuantumATK?

Thanks in advance...

Offline Petr Khomyakov

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Offline narin

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Re: Simple graphene nanoribbon inelastic transmission spectrum
« Reply #2 on: October 10, 2019, 11:04 »
Hi,

I tried the attached script for calculating the inelastic transmission spectrum of a very short graphene nanoribbon and it seems to take hundreds of hours. Is there a problem with my script or does the inelastic transmission spectrum takes hunderds of hours in ATK?

Thanks...

Offline Petr Khomyakov

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Re: Simple graphene nanoribbon inelastic transmission spectrum
« Reply #3 on: October 10, 2019, 12:13 »
Accounting for inelastic scattering is computationally-expensive indeed.