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dc.contributor.authorHan, Yifeng-
dc.contributor.authorWu, Meixia-
dc.contributor.authorGui, Churen-
dc.contributor.authorZhu, Chuanhui-
dc.contributor.authorSun, Zhongxiong-
dc.contributor.authorZhao, Mei-Huan-
dc.contributor.authorLi, Man-Rong-
dc.description.abstractRational design of technologically important exotic perovskites is hampered by the insufficient geometrical descriptors and costly and extremely high-pressure synthesis, while the big-data driven compositional identification and precise prediction entangles full understanding of the possible polymorphs and complicated multidimensional calculations of the chemical and thermodynamic parameter space. Here we present a rapid systematic data-mining-driven approach to design exotic perovskites in a high-throughput and discovery speed of the A(2)BB'O-6 family as exemplified in A(3)TeO(6). The magnetoelectric polar magnet Co3TeO6, which is theoretically recognized and experimentally realized at 5 GPa from the six possible polymorphs, undergoes two magnetic transitions at 24 and 58 K and exhibits helical spin structure accompanied by magnetoelastic and magnetoelectric coupling. We expect the applied approach will accelerate the systematic and rapid discovery of new exotic perovskites in a high-throughput manner and can be extended to arbitrary applications in other families.en_US
dc.description.sponsorshipNational Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [NSFC-21875287, 21801253, 11804404]; Program for Guangdong Introducing Innovative and Entrepreneurial Teams [2017ZT07C069]; Institutional Strategy of the University of Cologne within the German Excellence Initiative; Deutsche Forschungsgemeinschaft (DFG, German Research Foundation)German Research Foundation (DFG) [277146847 -SFB 1238]; DOEBESUnited States Department of Energy (DOE) [DE-SC0012704]en_US
dc.description.sponsorshipWe gratefully acknowledge the discussion of the piezoresponse behavior with Professor X. S. Gao at South China Normal University. This work was financially supported by the National Science Foundation of China (NSFC-21875287, 21801253, and 11804404), the Program for Guangdong Introducing Innovative and Entrepreneurial Teams (2017ZT07C069), and The Institutional Strategy of the University of Cologne within the German Excellence Initiative and the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) - Projektnummer 277146847 -SFB 1238 (B02). The XANES work at the Brookhaven National Laboratory, NSLS-II was supported by the DOEBES (DE-SC0012704).en_US
dc.publisherNature Publishing Groupen_US
dc.relation.ispartofQuantum Materialsen_US
dc.titleData-driven computational prediction and experimental realization of exotic perovskite-related polar magnetsen_US
dc.departmentIzmir Institute of Technologyen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.cont.department-temp[Han, Yifeng; Wu, Meixia; Zhu, Chuanhui; Sun, Zhongxiong; Zhao, Mei-Huan; Wang, Xueyun; Li, Man-Rong] Sun Yat Sen Univ, Sch Chem, Key Lab Bioinorgan & Synthet Chem, Minist Educ, Guangzhou 510275, Peoples R China; [Gui, Churen; Dong, Shuai] Southeast Univ, Sch Phys, Nanjing 211189, Peoples R China; [Savina, Aleksandra A.; Abakumov, Artem M.] Skolkovo Inst Sci & Technol, Bolshoy Blvd 30,Bld 1, Moscow 121205, Russia; [Wang, Biao; Huang, Feng] Sun Yat Sen Univ, Sch Mat, State Key Lab Optoelect Mat & Technol, Guangzhou 510275, Peoples R China; [He, LunHua] Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Inst Phys, Beijing 100190, Peoples R China; [He, LunHua] Songshan Lake Mat Lab, Dongguan 523808, Guangdong, Peoples R China; [He, LunHua; Chen, Jie] Chineen_US
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Appears in Collections:Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
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