Controllable half-metallicity in MnPX3 monolayer
Abstract Modulable electronic and magnetic structures significantly extend the properties and applications of two-dimensional (2D) materials. 2D antiferromagnets (AFM) can even become ferromagnets (FM) by various approaches, which ignites growing research interests in 2D AFM. Through first-principle...
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| Format: | Article |
| Language: | English |
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Nature Portfolio
2024-12-01
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| Series: | npj Spintronics |
| Online Access: | https://doi.org/10.1038/s44306-024-00065-w |
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| author | Ni Wang Ju Chen Yipeng An Qingfeng Zhan Shi-Jing Gong |
| author_facet | Ni Wang Ju Chen Yipeng An Qingfeng Zhan Shi-Jing Gong |
| author_sort | Ni Wang |
| collection | DOAJ |
| description | Abstract Modulable electronic and magnetic structures significantly extend the properties and applications of two-dimensional (2D) materials. 2D antiferromagnets (AFM) can even become ferromagnets (FM) by various approaches, which ignites growing research interests in 2D AFM. Through first-principles calculations, we find that the adsorption of Li (electron doping) and F (hole doping) on the surface of MnPSe3 can induce half-metallicity with opposite spin polarizations. The adsorption site, concentration, charge transfer, and the exchange energy are investigated in detail, indicating the robustness of half-metallicity. At the interface of MnPS3/Au(111) heterostructure, we find electrons transfer from Au(111) to MnPS3, forming the Ohmic contact and inducing AFM-FM transition. All our results show that ferromagnetic MnPX3 (X = S and Se) monolayer with half-metallicity can be easily obtained, which may be of great significance in 2D spintronic materials and devices. |
| format | Article |
| id | doaj-art-ca6f81f501cc4085b1dc12414a8216b4 |
| institution | Kabale University |
| issn | 2948-2119 |
| language | English |
| publishDate | 2024-12-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | npj Spintronics |
| spelling | doaj-art-ca6f81f501cc4085b1dc12414a8216b42024-12-08T12:17:14ZengNature Portfolionpj Spintronics2948-21192024-12-01211710.1038/s44306-024-00065-wControllable half-metallicity in MnPX3 monolayerNi Wang0Ju Chen1Yipeng An2Qingfeng Zhan3Shi-Jing Gong4Engineering Research Center of Nanophotonics Advanced Instrument (Ministry of Education), Department of Physics, School of Physics and Electronic Science, East China Normal UniversityEngineering Research Center of Nanophotonics Advanced Instrument (Ministry of Education), Department of Physics, School of Physics and Electronic Science, East China Normal UniversitySchool of Physics, Henan Normal UniversityEngineering Research Center of Nanophotonics Advanced Instrument (Ministry of Education), Department of Physics, School of Physics and Electronic Science, East China Normal UniversityEngineering Research Center of Nanophotonics Advanced Instrument (Ministry of Education), Department of Physics, School of Physics and Electronic Science, East China Normal UniversityAbstract Modulable electronic and magnetic structures significantly extend the properties and applications of two-dimensional (2D) materials. 2D antiferromagnets (AFM) can even become ferromagnets (FM) by various approaches, which ignites growing research interests in 2D AFM. Through first-principles calculations, we find that the adsorption of Li (electron doping) and F (hole doping) on the surface of MnPSe3 can induce half-metallicity with opposite spin polarizations. The adsorption site, concentration, charge transfer, and the exchange energy are investigated in detail, indicating the robustness of half-metallicity. At the interface of MnPS3/Au(111) heterostructure, we find electrons transfer from Au(111) to MnPS3, forming the Ohmic contact and inducing AFM-FM transition. All our results show that ferromagnetic MnPX3 (X = S and Se) monolayer with half-metallicity can be easily obtained, which may be of great significance in 2D spintronic materials and devices.https://doi.org/10.1038/s44306-024-00065-w |
| spellingShingle | Ni Wang Ju Chen Yipeng An Qingfeng Zhan Shi-Jing Gong Controllable half-metallicity in MnPX3 monolayer npj Spintronics |
| title | Controllable half-metallicity in MnPX3 monolayer |
| title_full | Controllable half-metallicity in MnPX3 monolayer |
| title_fullStr | Controllable half-metallicity in MnPX3 monolayer |
| title_full_unstemmed | Controllable half-metallicity in MnPX3 monolayer |
| title_short | Controllable half-metallicity in MnPX3 monolayer |
| title_sort | controllable half metallicity in mnpx3 monolayer |
| url | https://doi.org/10.1038/s44306-024-00065-w |
| work_keys_str_mv | AT niwang controllablehalfmetallicityinmnpx3monolayer AT juchen controllablehalfmetallicityinmnpx3monolayer AT yipengan controllablehalfmetallicityinmnpx3monolayer AT qingfengzhan controllablehalfmetallicityinmnpx3monolayer AT shijinggong controllablehalfmetallicityinmnpx3monolayer |