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Relaxation time approximations in PAOFLOW 2.0 (open access)

Relaxation time approximations in PAOFLOW 2.0

Article presents the implementation of relaxation time approximation models in the calculation of Boltzmann transport in PAOFLOW 2.0 and applies those to model band-structures. In addition, using a self-consistent fitting of the model parameters to experimental conductivity data, the authors provide a flexible tool to extract scattering rates with high accuracy. They illustrate the approximations using simple models and then apply the method to GaAs, Si, Mg₃Sb₂, and CoSb₃.
Date: March 23, 2022
Creator: Jayaraj, Anooja; Siloi, Ilaria; Fornari, Marco & Buongiorno Nardelli, Marco
System: The UNT Digital Library