Electron and chemical reservoir corrections for point-defect formation energies

Freysoldt, Christoph; Lange, Björn; Neugebauer, Jörg; Yan, Qimin; Lyons, John L.; Janotti, Anderson; Van de Walle, Chris G.

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Electron and chemical reservoir corrections for point-defect formation energies

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Freysoldt, Christoph
Defect Chemistry and Spectroscopy, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Lange, Björn
Defect Chemistry and Spectroscopy, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Neugebauer, Jörg
Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Freysoldt, C., Lange, B., Neugebauer, J., Yan, Q., Lyons, J. L., Janotti, A., et al. (2016). Electron and chemical reservoir corrections for point-defect formation energies. Physical Review B, 93(16): 165206.

Cite as: https://hdl.handle.net/11858/00-001M-0000-002A-D807-0

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