py-sc-fermi: self-consistent Fermi energies and defectconcentrations from electronic structure calculations
Alexander G. Squires, David O. Scanlon, Benjamin J. Morgan
Abstract
Squires et al., (2023). py-sc-fermi: self-consistent Fermi energies and defect concentrations from electronic structure calculations. Journal of Open Source Software, 8(82), 4962, https://doi.org/10.21105/joss.04962
Topics & Concepts
Fermi Gamma-ray Space TelescopeFermi levelElectronic structureCondensed matter physicsPhysicsFermi energyAtomic physicsNuclear physicsElectronMachine Learning in Materials ScienceElectronic and Structural Properties of OxidesSurface and Thin Film Phenomena