{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["118(17)"],"submitter":["Markov M"],"pubmed_abstract":["Combining ferroelectricity with other properties such as visible light absorption or long-range magnetic order requires the discovery of new families of ferroelectric materials. Here, through the analysis of a high-throughput database of phonon band structures, we identify a structural family of anti-Ruddlesden-Popper phases [Formula: see text]O (A=Ca, Sr, Ba, Eu, X=Sb, P, As, Bi) showing ferroelectric and antiferroelectric behaviors. The discovered ferroelectrics belong to the new class of hyperferroelectrics that polarize even under open-circuit boundary conditions. The polar distortion involves the movement of O anions against apical A cations and is driven by geometric effects resulting from internal chemical strains. Within this structural family, we show that [Formula: see text]O combines coupled ferromagnetic and ferroelectric order at the same atomic site, a very rare occurrence in materials physics."],"journal":["Proceedings of the National Academy of Sciences of the United States of America"],"pagination":["e2026020118"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC8092399"],"repository":["biostudies-literature"],"pubmed_title":["Ferroelectricity and multiferroicity in anti-Ruddlesden-Popper structures."],"pmcid":["PMC8092399"],"pubmed_authors":["Petretto G","George J","Ghosez P","Markov M","Miranda HPC","Bousquet E","Hautier G","Chen W","Rignanese GM","Alaerts L"],"additional_accession":[]},"is_claimable":false,"name":"Ferroelectricity and multiferroicity in anti-Ruddlesden-Popper structures.","description":"Combining ferroelectricity with other properties such as visible light absorption or long-range magnetic order requires the discovery of new families of ferroelectric materials. Here, through the analysis of a high-throughput database of phonon band structures, we identify a structural family of anti-Ruddlesden-Popper phases [Formula: see text]O (A=Ca, Sr, Ba, Eu, X=Sb, P, As, Bi) showing ferroelectric and antiferroelectric behaviors. The discovered ferroelectrics belong to the new class of hyperferroelectrics that polarize even under open-circuit boundary conditions. The polar distortion involves the movement of O anions against apical A cations and is driven by geometric effects resulting from internal chemical strains. Within this structural family, we show that [Formula: see text]O combines coupled ferromagnetic and ferroelectric order at the same atomic site, a very rare occurrence in materials physics.","dates":{"release":"2021-01-01T00:00:00Z","publication":"2021 Apr","modification":"2025-04-26T23:50:45.092Z","creation":"2025-04-06T17:38:54.365Z"},"accession":"S-EPMC8092399","cross_references":{"pubmed":["33893238"],"doi":["10.1073/pnas.2026020118"]}}