Factors governing oxygen vacancy formation in oxide perovskites

RB Wexler, GS Gautam, EB Stechel… - Journal of the American …, 2021 - ACS Publications
The control of oxygen vacancy (VO) formation is critical to advancing multiple metal-oxide-
perovskite-based technologies. We report the construction of a compact linear model for the …

Hole polarons in and : Stability, trapping, mobility, effect of Sr concentration, and oxygen vacancies

C Hartmann, J Laurencin, G Geneste - Physical Review B, 2023 - APS
The stability, trapping, and mobility of electron holes are investigated in lanthanum ferrite
LaFeO 3, and in La 1− x Sr x FeO 3− δ (x≈ 0.1, 0.4, and 0.6) by hybrid-density-functional …