[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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