Our second publication of 2022 “A direct approach to calculate the temperature dependence of the electronic relaxation time in 2D semiconductors from Boltzmann transport theory” has just been published in the Journal of Applied Physics.
In this publication we present a simple heuristic method to obtain the relaxation time and the temperature dependence of the electrical conductivity in 2D semiconductors. The approach is computationally straightforward, and relies on the BoltzTraP algorithm, on a direct fitting procedure, and on a scaling at a reference temperature. The approach provides a good estimate for the thermoelectric figure of merit ZT. We demonstrate our approach in nitrogenated holey graphene (NHG), boron-doped NHG, and tungsten disulfide 2D-WS2. In all these cases, our results agree with computationally expensive calculations available in the literature at a fraction of the computing time.
This publication was led by former postdoc Raphael Tromer at UFRN, in collaboration with Mauro S. Ferreira at Trinity College Dublin and Marcos G. E. da Luz at Universidade Federal do Paraná. Computational support was provided by the supercomputing center at UFRN (NPAD).