Effects of oxygen vacancies on the electronic structure of the (LaVO3)6/SrVO3 superlattice: a computational study

By means of first principles calculations, we comprehensively investigate the stability of O vacancies at the different possible sites in the (LaVO _3 ) _6 /SrVO _3 superlattice and their effect on the electronic structure. Formation energy calculations demonstrate that O vacancies are formed most e...

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Bibliographic Details
Main Authors: Qingqing Dai, Ulrich Eckern, Udo Schwingenschlögl
Format: Article
Language:English
Published: IOP Publishing 2018-01-01
Series:New Journal of Physics
Subjects:
Online Access:https://doi.org/10.1088/1367-2630/aac486