How to edit the intrans file in BoltzTrap to include electron and hole doping?

19 March 2018 1 2K Report

I am trying to run BoltzTap for different electron and hole concentration but I can't seem to figure out how to do the same..

As far as I have read, I know the case.intrans file needs to be edited by I can't seem to figure out how.

Akash Shukla

Hello Anushka

As per my knowledge the third column of case.trace file contain N and you can convert it in to Carrier per unit cell by dividing it by volume of the unit cell. now you get positive and negative value of carrier concentration (n). Hear positive represent hole and negative represent electron concentration.

I hope it will help you.

Akash Shukla

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