6533b839fe1ef96bd12a6495

RESEARCH PRODUCT

Oxygen Vacancy Formation and Migration within the Antiphase Boundaries in Lanthanum Scandate-Based Oxides: Computational Study.

Maksim SokolovMaxim AnanyevYuri MastrikovAnatoly I. PopovGuntars ZvejnieksEugene A. KotominDenis GryaznovRoberts Eglitis

subject

oxygen transportLa<sub>1−<i>x</i></sub>Sr<i><sub>x</sub></i>ScO<sub>3−<i>δ</i></sub>; lanthanum scandate; perovskite; antiphase boundaries; oxygen vacancy; oxygen transport; DFTGeneral Materials Science:NATURAL SCIENCES::Physics [Research Subject Categories]La1−xSrxScO3−δantiphase boundariesoxygen vacancyDFTperovskitelanthanum scandate

description

The study was performed with the financial support from the Latvian Council of Science under the grant agreement LZP-2020/2-0009. Calculations were performed at the HLRS, University of Stuttgart, within the project 12939 DEFTD. The Institute of Solid State Physics, University of Latvia (Latvia), as the Centre of Excellence has received funding from the European Union’s Horizon 2020 Frame-work Programme H2020-WIDESPREAD-01-2016-2017-Teaming Phase2 under grant agreement No. 739508, project CAMART2.

10.3390/ma15072695https://pubmed.ncbi.nlm.nih.gov/35408027