Published March 3, 2021
| Version v1.0.2
Dataset
Open
Supporting data for "Efficient calculation of carrier scattering rates from first principles"
Authors/Creators
- 1. Lawrence Berkeley National Laboratory
Description
Supporting data for "Efficient calculation of carrier scattering rates from first principles". The dataset includes:
- Temperature and carrier concentration dependent electronic mobility and Seebeck coefficient calculated using AMSET, constant relaxation time (CRT) approximation, and the scaled relaxation time (SRT) approximation.
- `vasprun.xml` files for all materials.
Calculations were performed using the AMSET package, available at: https://github.com/hackingmaterials/amset