{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["9(10)"],"submitter":["Qian Z"],"pubmed_abstract":["Design of two-dimensional (2D) multiferroic materials with two or more ferroic orders in one structure is highly desired in view of the development of next-generation electronic devices. Unfortunately, experimental or theoretical discovery of 2D intrinsic multiferroic materials is rare. Using first-principles calculation methods, we report the realization of multiferroics that couple ferromagnetism and ferroelectricity by intercalating Cu atoms in bilayer CrI<sub>3</sub>, Cu<sub><i>x</i></sub>@bi-CrI<sub>3</sub> (<i>x</i> = 0.03, 0.06, and 0.25). Our results show that the intercalation of Cu atoms leads to the inversion symmetry breaking of bilayer CrI<sub>3</sub> and produces intercalation density-dependent out-of-plane electric polarization, around 18.84-90.31 pC·cm<sup>-2</sup>. Moreover, the switch barriers of Cu<sub><i>x</i></sub>@bi-CrI<sub>3</sub> in both polarization states are small, ranging from 0.31 to 0.69 eV. Furthermore, the magnetoelectric coupling properties of Cu<sub><i>x</i></sub>@bi-CrI<sub>3</sub> can be modulated via varying the metal ion intercalation density, and half-metal to semiconductor transition can be occurred by decreasing the intercalation density of metal ions. Our work paves a practical path for 2D magnetoelectron coupling devices."],"journal":["ACS omega"],"pagination":["11478-11483"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC10938309"],"repository":["biostudies-literature"],"pubmed_title":["Coexistence of Ferromagnetism and Ferroelectricity in Cu-Intercalated Bilayer CrI<sub>3</sub>."],"pmcid":["PMC10938309"],"pubmed_authors":["Guo N","Qian Z","Rui X","Lu J","Gu G","Peng Q","Hua B","Wang Y","Wang Z","Zhu T"],"additional_accession":[]},"is_claimable":false,"name":"Coexistence of Ferromagnetism and Ferroelectricity in Cu-Intercalated Bilayer CrI<sub>3</sub>.","description":"Design of two-dimensional (2D) multiferroic materials with two or more ferroic orders in one structure is highly desired in view of the development of next-generation electronic devices. Unfortunately, experimental or theoretical discovery of 2D intrinsic multiferroic materials is rare. Using first-principles calculation methods, we report the realization of multiferroics that couple ferromagnetism and ferroelectricity by intercalating Cu atoms in bilayer CrI<sub>3</sub>, Cu<sub><i>x</i></sub>@bi-CrI<sub>3</sub> (<i>x</i> = 0.03, 0.06, and 0.25). Our results show that the intercalation of Cu atoms leads to the inversion symmetry breaking of bilayer CrI<sub>3</sub> and produces intercalation density-dependent out-of-plane electric polarization, around 18.84-90.31 pC·cm<sup>-2</sup>. Moreover, the switch barriers of Cu<sub><i>x</i></sub>@bi-CrI<sub>3</sub> in both polarization states are small, ranging from 0.31 to 0.69 eV. Furthermore, the magnetoelectric coupling properties of Cu<sub><i>x</i></sub>@bi-CrI<sub>3</sub> can be modulated via varying the metal ion intercalation density, and half-metal to semiconductor transition can be occurred by decreasing the intercalation density of metal ions. Our work paves a practical path for 2D magnetoelectron coupling devices.","dates":{"release":"2024-01-01T00:00:00Z","publication":"2024 Mar","modification":"2025-04-22T12:59:13.526Z","creation":"2025-04-06T00:26:19.935Z"},"accession":"S-EPMC10938309","cross_references":{"pubmed":["38496958"],"doi":["10.1021/acsomega.3c08360"]}}