[DFTB-Plus-User] Question on NEGF implementation and I-V drawings

Reinaldo Pis Diez reinaldo.pisdiez at gmail.com
Tue Nov 10 15:18:09 CET 2020


Dear folks,

I'm interested in obtaining I-V figures for some systems for which 
we are studying transport performance.

I was reading the paper by Pecchia et al in New Journal of Physics 
on how the NEGF method was implemented in the DFTB method and I 
could see a lot of I-V drawings. But the tutorial at the Recipes in 
the dftb+ site shows only drawings of the transmission coeff vs energy.

My question: is it possible to obtain I-V drawings using the negf as 
implemented in dftb+ 20.1 or should I obtain I(V) from the 
transmission coeffs?

Thanks in advance.

Regards,

Reinaldo


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