Squires, Alexander G;
Scanlon, David O;
Morgan, Benjamin J;
(2023)
py-sc-fermi: self-consistent Fermi energies and defect concentrations from electronic structure calculations.
The Journal of Open Source Software
, 8
(82)
, Article 4962. 10.21105/joss.04962.
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| Type: | Article |
|---|---|
| Title: | py-sc-fermi: self-consistent Fermi energies and defect concentrations from electronic structure calculations |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.21105/joss.04962 |
| Publisher version: | https://doi.org/10.21105/joss.04962 |
| Language: | English |
| Additional information: | Authors of papers retain copyright and release the work under a Creative Commons Attribution 4.0 International License (CC BY 4.0) (http://creativecommons.org/licenses/by/4.0/). |
| Keywords: | materials modelling, materials physics, materials chemistry, thermodynamics |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10168029 |
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