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- W2534542233 abstract "We use a combination of symmetry analysis and high-throughput density functional theory calculations to search for new ferroelectric materials. We use two search strategies to identify candidate materials. In the first strategy, we start with non-polar materials and look for unrecognized energy-lowering polar distortions. In the second strategy, we consider polar materials and look for related higher symmetry structures. In both cases, if we find new structures with the correct symmetries that are also close in energy to experimentally known structures, then the material is likely to be switchable in an external electric field, making it a candidate ferroelectric. We find sixteen candidate materials, with variety of properties that are rare in typical ferroelectrics, including large polarization, hyperferroelectricity, antiferroelectricity, and multiferroism." @default.
- W2534542233 created "2016-10-28" @default.
- W2534542233 creator A5014188575 @default.
- W2534542233 date "2018-01-31" @default.
- W2534542233 modified "2023-10-17" @default.
- W2534542233 title "High-throughput first-principles search for new ferroelectrics" @default.
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- W2534542233 doi "https://doi.org/10.1103/physrevb.97.024115" @default.
- W2534542233 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/6459619" @default.
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- W2534542233 hasPublicationYear "2018" @default.
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