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

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.

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Datensatz-Permalink: https://hdl.handle.net/11858/00-001M-0000-002A-D807-0 Versions-Permalink: https://hdl.handle.net/11858/00-001M-0000-002B-1D48-5

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Urheber:
Freysoldt, Christoph¹, Autor
Lange, Björn¹, Autor
Neugebauer, Jörg², Autor
Yan, Qimin³, Autor
Lyons, John L.⁴, Autor
Janotti, Anderson⁵, Autor
Van de Walle, Chris G.⁶, Autor

Affiliations:
1Defect Chemistry and Spectroscopy, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863342
2Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863337
3Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA, ou_persistent22
4Center for Functional Nanomaterials, Brookhaven National Laboratory, Upton, New York 11973, USA, ou_persistent22
5Department of Materials Science and Engineering, University of Delaware, Newark, Delaware 19716-3106, USA, ou_persistent22
6Materials Department, University of California, Santa Barbara, CA 93106-5050, USA, ou_persistent22