Publications from the Defect Chemistry and Spectroscopy group

Freysoldt, C.; Neugebauer, J.; Tan, A. M. Z.; Hennig, R. G.: Limitations of empirical supercell extrapolation for calculations of point defects in bulk, at surfaces, and in two-dimensional materials. Physical Review B 105 (1), 014103 (2022)

Bhatt, S.; Katnagallu, S.; Neugebauer, J.; Freysoldt, C.: Accurate computation of chemical contrast in field ion microscopy. Condensed Matter: Materials Science (2022)

Kavanagh, S. R.; Scanlon, D. O.; Walsh, A.; Freysoldt, C.: Impact of metastable defect structures on carrier recombination in solar cells. Faraday Discussions 239, pp. 339 - 356 (2022)

Stender, P.; Gault, B.; Schwarz, T. M.; Woods, E.; Kim, S.-H.; Ott, J.; Stephenson, L.; Schmitz , G.; Freysoldt, C.; Kästner, J. et al.; El-Zoka, A.: Status and Direction of Atom Probe Analysis of Frozen Liquids. Microscopy and Microanalysis, pp. 1 - 18 (2022)

Freysoldt, C.; Gake, T.; Kumagai, Y.; Oba, F.; Dou, B.; Falletta, S.: Charge corrections for electronic transitions at defects with ionic and electronic screening. Workshop "First-principles modeling of defects in solids: Charges meet lattices", Zürich, Switzerland (2022)