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Published in 2024 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.4c11163
Abstract: The design of novel multiferroic ABO3 perovskites is complicated by the presence of necessary magnetic cations and ubiquitous antiferrodistortive modes, both of which suppress polar distortions. Using first-principles simulations, we observe that the existence of…
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Keywords:
universal polar;
orthorhombic perovskites;
polar instability;
instability highly ... See more keywords