Stacking effects on the structure and magnetic properties of MoN2
文献类型：期刊论文
| 作者 | Liang, X.1,2 ; Lv, H. Y.1; Si, J. G.1,2; Hong, Y. T.1,2; Lu, W. J.1; Sun, Y. P.1,3,4
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| 刊名 | EPL
 |
| 出版日期 | 2021-08-01 |
| 卷号 | 135 |
| ISSN号 | 0295-5075 |
| DOI | 10.1209/0295-5075/ac23eb |
| 通讯作者 | Liang, X.(liangxin564@163.com) |
| 英文摘要 | Stacking mode plays an important role in determining the ground state properties of van der Waals layered materials. Here, we study the structure and magnetic properties of 2H-MoN2 with different stacked structures by using first-principles calculations. The results show that the AA', AB, and A'B stacked structures are antiferromagnetic metals, while the AA and AB' stacked structures form the N-N covalent bonds between the neighboring layers and become non-magnetic semiconductors. The magnetic mechanism is analyzed based on the orbital occupation states and the spin-exchange coupling. Our results provide a fundamental understanding of the connection between stacking mode and the magnetic properties of 2H-MoN2, paving the way to utilize it for spintronic applications. Copyright (C) 2021 EPLA |
| WOS关键词 | PLANE-WAVE ; FERROMAGNETISM ; CRYSTAL ; TEMPERATURE |
| 资助项目 | National Key R&D Program of China[2016YFA0300404] ; National Nature Science Foundation of China[11774351] ; National Nature Science Foundation of China[U2032215] ; Open Project of State Key Laboratory of Superhard Materials, Jilin University[201902] |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000731518000005 |
| 出版者 | IOP Publishing Ltd |
| 资助机构 | National Key R&D Program of China ; National Nature Science Foundation of China ; Open Project of State Key Laboratory of Superhard Materials, Jilin University |
| 源URL | [http://ir.hfcas.ac.cn:8080/handle/334002/126454]  |
| 专题 | 中国科学院合肥物质科学研究院 |
| 通讯作者 | Liang, X. |
| 作者单位 | 1.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, HFIPS, Hefei 230031, Peoples R China 2.Univ Sci & Technol China, Hefei 230026, Peoples R China 3.Chinese Acad Sci, High Magnet Field Lab, Hefei 230031, Peoples R China 4.Nanjing Univ, Collaborat Innovat Ctr Microstruct, Nanjing 210093, Peoples R China |
| 推荐引用方式 GB/T 7714 | Liang, X.,Lv, H. Y.,Si, J. G.,et al. Stacking effects on the structure and magnetic properties of MoN2[J]. EPL,2021,135. |
| APA | Liang, X.,Lv, H. Y.,Si, J. G.,Hong, Y. T.,Lu, W. J.,&Sun, Y. P..(2021).Stacking effects on the structure and magnetic properties of MoN2.EPL,135. |
| MLA | Liang, X.,et al."Stacking effects on the structure and magnetic properties of MoN2".EPL 135(2021). |
入库方式： OAI收割
来源：合肥物质科学研究院
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