211 citations · 1.2k across the 28 of their papers we have counts for
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cond-mat.mtrl-sci2023★ 55 cited
Imperfections are not 0 K: free energy of point defects in crystals
Irea Mosquera-Lois, Seán R. Kavanagh, Johan Klarbring +2
Defects determine many important properties and applications of materials, ranging from doping in semiconductors, to conductivity in mixed ionic-electronic conductors used in batte…
cond-mat.mtrl-sci2023★ 20 cited
Four-electron Negative-U Vacancy Defects in Antimony Selenide
Xinwei Wang, Sean R. Kavanagh, David O. Scanlon +1
The phenomenon of negative-U behavior, where a defect traps a second charge carrier more strongly than the first, has been established in many host crystals. Here we report the cas…