py-sc-fermi: self-consistent Fermi energies and defect concentrations from electronic structure calculations

Alex Squires; David O. Scanlon; Benjamin J. Morgan

doi:10.21105/joss.04962

py-sc-fermi: self-consistent Fermi energies and defect concentrations from electronic structure calculations

Alex Squires, David O. Scanlon, Benjamin J. Morgan

Chemistry

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Original language	English
Article number	4962
Number of pages	4
Journal	Journal of Open Source Software
Volume	8
Issue number	82
DOIs	https://doi.org/10.21105/joss.04962
Publication status	Published - 3 Feb 2023

Bibliographical note

Acknowledgements:
The authors are grateful for feature requests and user testing from Seán Kavanagh, Joe Willis, Jiayi Cen, Sabrine Hachmioune, and Lavan Ganeshkumar. This work was supported by the Faraday Institution grant number FIRG017. D.O.S. acknowledges support from the European Research Council, ERC (Grant 758345). B.J.M. acknowledges support from the Royal Society (UF13032 and URF\R\191006).

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Cite this

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title = "py-sc-fermi: self-consistent Fermi energies and defect concentrations from electronic structure calculations",

author = "Alex Squires and Scanlon, {David O.} and Morgan, {Benjamin J.}",

note = "Acknowledgements: The authors are grateful for feature requests and user testing from Se{\'a}n Kavanagh, Joe Willis, Jiayi Cen, Sabrine Hachmioune, and Lavan Ganeshkumar. This work was supported by the Faraday Institution grant number FIRG017. D.O.S. acknowledges support from the European Research Council, ERC (Grant 758345). B.J.M. acknowledges support from the Royal Society (UF13032 and URF\R\191006). ",

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T1 - py-sc-fermi: self-consistent Fermi energies and defect concentrations from electronic structure calculations

AU - Squires, Alex

AU - Scanlon, David O.

AU - Morgan, Benjamin J.

N1 - Acknowledgements: The authors are grateful for feature requests and user testing from Seán Kavanagh, Joe Willis, Jiayi Cen, Sabrine Hachmioune, and Lavan Ganeshkumar. This work was supported by the Faraday Institution grant number FIRG017. D.O.S. acknowledges support from the European Research Council, ERC (Grant 758345). B.J.M. acknowledges support from the Royal Society (UF13032 and URF\R\191006).

PY - 2023/2/3

Y1 - 2023/2/3

U2 - 10.21105/joss.04962

DO - 10.21105/joss.04962

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VL - 8

JO - Journal of Open Source Software

JF - Journal of Open Source Software

IS - 82

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ER -