Correlative Models for Oxygen Vacancies in Perovskites
作者： Evan Smith , Srečo Škapin , Rick Ubic
DOI: 10.1016/J.JALLCOM.2020.155475
关键词: Oxygen 、 Crystal structure 、 Empirical modelling 、 Ionic radius 、 Work (thermodynamics) 、 Materials science 、 Thermodynamics 、 Correlative 、 Deformation (engineering) 、 Perovskite (structure)
摘要: Although most commercial perovskite ceramics contain oxygen vacancies, whether intrinsic or extrinsic, few correlative models currently exist to predict their effects on crystal structure or local crystallochemistry. Such predictive models, derived from empirical relationships between synthesis and structural data, can significantly facilitate future research and development. In this work, eight compositions within the CaTi 1-x Fe x O 3-x/2 system and eleven compositions within the SrTi 1-x Fe x O 3-x/2 system were synthesized using a …
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