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Published in 2020 at "Computational Condensed Matter"
DOI: 10.1016/j.cocom.2020.e00491
Abstract: We propose to insert TiO layers to perovskite ATiO$_{3}$ to form a superlattice and use first-principles calculations to investigate its basic properties. Our computational analysis shows that the structure, which consists of repeated ATiO_{3} and…
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Keywords:
conductivity;
atio3 tio;
tio superlattice;
ferroelectricity ... See more keywords