The role of defect charge, crystal chemistry, and crystal structure on positron lifetimes of vacancies in oxides

• Published in: Journal of physics. Condensed matter Vol. 36; no. 44; pp. 445701 - 445707
• Main Authors: Lopez-Bezanilla, Alejandro, Selim, Farida A, Oskar Liedke, Maciej, Uberuaga, Blas P
• Format: Journal Article
• Language: English
• Published: England IOP Publishing 06.08.2024
• Subjects: defected structure; metal oxides; positron lifetime; metal oxides; defected structure; positron lifetime

Density functional theory based positron lifetime (PL) calculations for cation and oxygen monovacancies in a range of oxides-hematite, magnetite, hercynite, and alumina-have been conducted to compare the impact of defect chemistry and crystal structure on the predicted lifetimes. The role of defect...