Stoner instability-mediated large magnetoelectric effects in 2D stacking electrides  

作　　者：Zhigang Gui Haiyan Zhu Zhe Wang M.Umar Farooq Laurent Bellaiche Li Huang 

机构地区：[1]Department of Physics&Academy for Advanced Interdisciplinary Studies,Southern University of Science&Technology,Shenzhen,Guangdong 518055,China [2]Physics Department and Institute for Nanoscience and Engineering,University of Arkansas,Fayetteville,AR 72701,USA [3]Quantum Science Center of Guangdong-Hong Kong-Macao Greater Bay Area(Guangdong),Shenzhen 518045,China

出　　处：《npj Computational Materials》2024年第1期2717-2723,共7页计算材料学(英文)

基　　金：supported by the Ministry of Science and Technology of the People’s Republic of China(no.2022YFA1402903);the National Natural Science Foundation of China under Grant No.12004160 and 12374059;Z.G.also acknowledges the financial support from Shenzhen Science and Technology Program(Grant No.KQTD20190929173815000);Guangdong Innovative and Entrepreneurial Research Team Program(Grant No.2019ZT08C044);Part of this work was supported by the Quantum Science Center of Guangdong-Hong Kong-Macao Greater Bay Area(Guangdong)and the Open Project of Guangdong Provincial Key Laboratory of Magnetoelectric Physics and Devices,No.2022B1212010008;L.B.acknowledges support from the Vannevar Bush Faculty Fellowship(VBFF,Grant No.N00014-20-1-2834)from the Department of Defense;Computational time was supported by the Center for Computational Science and Engineering of Southern University of Science and Technology and the Major Science and Technology Infrastructure Project of Material Genome Big-science Facilities Platform supported by Municipal Development and Reform Commission of Shenzhen.

摘　　要：Strong magnetoelectric effects in single-phase two-dimensional(2D)materials are extremely rare in nature.Here by first-principles calculations,we find a strong magnetoelectric coupling in polar stacking bilayer Hf_(2)S that allows the reversal of net magnetic moments with the reversal of electric dipoles.Further analysis shows that such strong magnetoelectric effects benefit from the Stoner instability of surface Hf atoms triggered by polar stacking.Moreover,an unexpectedly large out-ofplane electric polarization(which is at least two times larger than that of bilayer BN)survives in the material,despite its metallicity.

关 键 词：STACKING MAGNETO RARE 

分 类 号：O48[理学—固体物理]