Magnetic properties of SnSe monolayer doped by transition-metal atoms: A first-principle calculation
Using the first-principles calculations, we investigate the structural, electronic, and magnetic properties of 3d transition metal (TM) (TM = Co, Cu, Mn, Fe, and Ni) atoms substitutional doping of SnSe monolayer. Magnetism is observed for Co, Mn, Fe, and Ni doping. In particular, Mn- and Fe-substitu...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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Elsevier
2020-06-01
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| Series: | Results in Physics |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211379720306562 |
| _version_ | 1828777613991084032 |
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| author | Min Luo Yue Xu Yuhao Shen |
| author_facet | Min Luo Yue Xu Yuhao Shen |
| author_sort | Min Luo |
| collection | DOAJ |
| description | Using the first-principles calculations, we investigate the structural, electronic, and magnetic properties of 3d transition metal (TM) (TM = Co, Cu, Mn, Fe, and Ni) atoms substitutional doping of SnSe monolayer. Magnetism is observed for Co, Mn, Fe, and Ni doping. In particular, Mn- and Fe-substituted systems exhibit large magnetic moment of 5.0 and 4.0μB at a very low impurity concentration. Then, we study the magnetic coupling in these two substituted systems. The magnetic coupling between two Mn atoms prefers to antiferromagnetic (AFM) owing to the super exchange between d states of two Mn atoms. Interestingly, both AFM and ferromagnetic (FM) coupling are observed in two-Fe-doped systems. Due to the strong spin–orbit coupling between Fe-3d and Se-4p, a long-range FM interaction is found in the Fe-substituted system. Our results demonstrate potential applications of TM-substituted SnSe for spintronics and magnetic storage devices. |
| first_indexed | 2024-12-11T16:25:37Z |
| format | Article |
| id | doaj.art-9505bc860dc9444a971dca82e3c1e218 |
| institution | Directory Open Access Journal |
| issn | 2211-3797 |
| language | English |
| last_indexed | 2024-12-11T16:25:37Z |
| publishDate | 2020-06-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Results in Physics |
| spelling | doaj.art-9505bc860dc9444a971dca82e3c1e2182022-12-22T00:58:45ZengElsevierResults in Physics2211-37972020-06-0117103126Magnetic properties of SnSe monolayer doped by transition-metal atoms: A first-principle calculationMin Luo0Yue Xu1Yuhao Shen2Department of Physics, Shanghai Polytechnic University, Shanghai 201209, ChinaSchool of Microelectronic of Fudan University, Shanghai 200433, ChinaKey Laboratory of Polar Materials and Devices, East China Normal University, Shanghai 200241, China; Corresponding author.Using the first-principles calculations, we investigate the structural, electronic, and magnetic properties of 3d transition metal (TM) (TM = Co, Cu, Mn, Fe, and Ni) atoms substitutional doping of SnSe monolayer. Magnetism is observed for Co, Mn, Fe, and Ni doping. In particular, Mn- and Fe-substituted systems exhibit large magnetic moment of 5.0 and 4.0μB at a very low impurity concentration. Then, we study the magnetic coupling in these two substituted systems. The magnetic coupling between two Mn atoms prefers to antiferromagnetic (AFM) owing to the super exchange between d states of two Mn atoms. Interestingly, both AFM and ferromagnetic (FM) coupling are observed in two-Fe-doped systems. Due to the strong spin–orbit coupling between Fe-3d and Se-4p, a long-range FM interaction is found in the Fe-substituted system. Our results demonstrate potential applications of TM-substituted SnSe for spintronics and magnetic storage devices.http://www.sciencedirect.com/science/article/pii/S2211379720306562SnSeDopingMagnetismMagnetic exchangeFirst-principles calculation |
| spellingShingle | Min Luo Yue Xu Yuhao Shen Magnetic properties of SnSe monolayer doped by transition-metal atoms: A first-principle calculation Results in Physics SnSe Doping Magnetism Magnetic exchange First-principles calculation |
| title | Magnetic properties of SnSe monolayer doped by transition-metal atoms: A first-principle calculation |
| title_full | Magnetic properties of SnSe monolayer doped by transition-metal atoms: A first-principle calculation |
| title_fullStr | Magnetic properties of SnSe monolayer doped by transition-metal atoms: A first-principle calculation |
| title_full_unstemmed | Magnetic properties of SnSe monolayer doped by transition-metal atoms: A first-principle calculation |
| title_short | Magnetic properties of SnSe monolayer doped by transition-metal atoms: A first-principle calculation |
| title_sort | magnetic properties of snse monolayer doped by transition metal atoms a first principle calculation |
| topic | SnSe Doping Magnetism Magnetic exchange First-principles calculation |
| url | http://www.sciencedirect.com/science/article/pii/S2211379720306562 |
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