Abstract
Perovskite functional ceramics have been widely applied for thermal protection owing to their unique physical properties.However,formation of oxygen vacancies under external stimuli usually limits their performance in practical applications.Therefore,the mechanism of the effect of oxygen vacancy on the layer structure of perovskite La0.9Sr0.1TiO3+δ was investigated by experiments and first-principles simula-tions.The experimental results showed that the lattice distortion occurred in oxygen-deficient environ-ment to give a longer c-axis,along with a significant adjustment in the modes of A/B-O bond vibration,resulting in lower reflectivity.Advanced transmission electron microscopy studies revealed that oxygen vacancies induced localized atomic rearrangements via[TiO6]layer movements to adapt to the lattice distortion.This eventually restructured a part of the layer interfaces by expanding the overlapping pro-jection of atoms in the c-axial direction.The specific transformation process was described as a com-pendious process,while geometric phase analysis effectively clarified how oxygen vacancies can inhibit reflectivity on the layer structure.Thus,this study provides effective approaches for researching the ef-fects of oxygen vacancy on the physical properties of orthorhombic layer perovskite structures,which may facilitate the development of perovskite-based functional devices.
基金项目
National Natural Science Foundation of China(52002355)
National Key Laboratory Foundation of Science and Technology on Materials under Shock and Impact(6142902200202)
China Postdoctoral Science Foundation(2019M652569)
Key Scientific Research Project of Colleges and Uni-versities in Henan Province(20A430025)
Henan Province Association for Science and Technology Young Talents Lift-ing Project(2020HYTP021)
NETL
NSTL
万方数据