Spin-splitting above room-temperature in Janus Mn2ClSeH antiferromagnetic semiconductor with a large out-of-plane piezoelectricity
Abstract Two-dimensional (2D) antiferromagnets have garnered considerable research interest due to their robustness against external magnetic perturbation, ultrafast dynamics, and magneto-transport effects. However, the lack of spin-splitting in antiferromagnetic (AFM) materials severely limits thei...
Saved in:
| Main Authors: | , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-03-01
|
| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-025-01566-w |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1850054280399028224 |
|---|---|
| author | Haiming Lu Sitong Bao Bocheng Lei Sutao Sun Linglu Wu Jian Zhou Lili Zhang |
| author_facet | Haiming Lu Sitong Bao Bocheng Lei Sutao Sun Linglu Wu Jian Zhou Lili Zhang |
| author_sort | Haiming Lu |
| collection | DOAJ |
| description | Abstract Two-dimensional (2D) antiferromagnets have garnered considerable research interest due to their robustness against external magnetic perturbation, ultrafast dynamics, and magneto-transport effects. However, the lack of spin-splitting in antiferromagnetic (AFM) materials severely limits their potential in spintronics applications. Inspired by inherent out-of-plane potential gradient of Janus structure, we predict three stable AFM Janus Mn2ClXH (X = O, S, and Se) monolayers with spontaneous spin-splitting based on first-principles calculations. Notably, Janus Mn2ClSeH exhibits a high Néel temperature of up to 510 K, robust perpendicular magnetocrystalline anisotropy, outstanding out-of-plane piezoelectricity of 0.454 × 10−10 C/m, and sizeable spontaneous valley polarization of 17.2 meV. Moreover, the spin-splitting can be significantly enhanced through appropriate synergistic regulation of biaxial strain and external electric field. These results demonstrate that the Janus Mn2ClSeH monolayer is a very potential candidate for designing intriguing antiferromagnet-based devices with fantastic piezoelectric and valleytronic characteristics. |
| format | Article |
| id | doaj-art-42dca6cba5e5491fac6c7a997767058e |
| institution | DOAJ |
| issn | 2057-3960 |
| language | English |
| publishDate | 2025-03-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | npj Computational Materials |
| spelling | doaj-art-42dca6cba5e5491fac6c7a997767058e2025-08-20T02:52:19ZengNature Portfolionpj Computational Materials2057-39602025-03-011111910.1038/s41524-025-01566-wSpin-splitting above room-temperature in Janus Mn2ClSeH antiferromagnetic semiconductor with a large out-of-plane piezoelectricityHaiming Lu0Sitong Bao1Bocheng Lei2Sutao Sun3Linglu Wu4Jian Zhou5Lili Zhang6College of Physical Science and Technology, Xinjiang Laboratory of Phase Transitions and Microstructures of Condensed Matter Physics, Yili Normal UniversityCollege of Engineering and Applied Sciences, Jiangsu Key Laboratory of Artificial Functional Materials, Collaborative Innovation Center of Advanced Microstructures, Nanjing UniversityCollege of Physical Science and Technology, Xinjiang Laboratory of Phase Transitions and Microstructures of Condensed Matter Physics, Yili Normal UniversitySchool of Physics, Nanjing UniversityCollege of Engineering and Applied Sciences, Jiangsu Key Laboratory of Artificial Functional Materials, Collaborative Innovation Center of Advanced Microstructures, Nanjing UniversityCollege of Engineering and Applied Sciences, Jiangsu Key Laboratory of Artificial Functional Materials, Collaborative Innovation Center of Advanced Microstructures, Nanjing UniversityCollege of Physical Science and Technology, Xinjiang Laboratory of Phase Transitions and Microstructures of Condensed Matter Physics, Yili Normal UniversityAbstract Two-dimensional (2D) antiferromagnets have garnered considerable research interest due to their robustness against external magnetic perturbation, ultrafast dynamics, and magneto-transport effects. However, the lack of spin-splitting in antiferromagnetic (AFM) materials severely limits their potential in spintronics applications. Inspired by inherent out-of-plane potential gradient of Janus structure, we predict three stable AFM Janus Mn2ClXH (X = O, S, and Se) monolayers with spontaneous spin-splitting based on first-principles calculations. Notably, Janus Mn2ClSeH exhibits a high Néel temperature of up to 510 K, robust perpendicular magnetocrystalline anisotropy, outstanding out-of-plane piezoelectricity of 0.454 × 10−10 C/m, and sizeable spontaneous valley polarization of 17.2 meV. Moreover, the spin-splitting can be significantly enhanced through appropriate synergistic regulation of biaxial strain and external electric field. These results demonstrate that the Janus Mn2ClSeH monolayer is a very potential candidate for designing intriguing antiferromagnet-based devices with fantastic piezoelectric and valleytronic characteristics.https://doi.org/10.1038/s41524-025-01566-w |
| spellingShingle | Haiming Lu Sitong Bao Bocheng Lei Sutao Sun Linglu Wu Jian Zhou Lili Zhang Spin-splitting above room-temperature in Janus Mn2ClSeH antiferromagnetic semiconductor with a large out-of-plane piezoelectricity npj Computational Materials |
| title | Spin-splitting above room-temperature in Janus Mn2ClSeH antiferromagnetic semiconductor with a large out-of-plane piezoelectricity |
| title_full | Spin-splitting above room-temperature in Janus Mn2ClSeH antiferromagnetic semiconductor with a large out-of-plane piezoelectricity |
| title_fullStr | Spin-splitting above room-temperature in Janus Mn2ClSeH antiferromagnetic semiconductor with a large out-of-plane piezoelectricity |
| title_full_unstemmed | Spin-splitting above room-temperature in Janus Mn2ClSeH antiferromagnetic semiconductor with a large out-of-plane piezoelectricity |
| title_short | Spin-splitting above room-temperature in Janus Mn2ClSeH antiferromagnetic semiconductor with a large out-of-plane piezoelectricity |
| title_sort | spin splitting above room temperature in janus mn2clseh antiferromagnetic semiconductor with a large out of plane piezoelectricity |
| url | https://doi.org/10.1038/s41524-025-01566-w |
| work_keys_str_mv | AT haiminglu spinsplittingaboveroomtemperatureinjanusmn2clsehantiferromagneticsemiconductorwithalargeoutofplanepiezoelectricity AT sitongbao spinsplittingaboveroomtemperatureinjanusmn2clsehantiferromagneticsemiconductorwithalargeoutofplanepiezoelectricity AT bochenglei spinsplittingaboveroomtemperatureinjanusmn2clsehantiferromagneticsemiconductorwithalargeoutofplanepiezoelectricity AT sutaosun spinsplittingaboveroomtemperatureinjanusmn2clsehantiferromagneticsemiconductorwithalargeoutofplanepiezoelectricity AT lingluwu spinsplittingaboveroomtemperatureinjanusmn2clsehantiferromagneticsemiconductorwithalargeoutofplanepiezoelectricity AT jianzhou spinsplittingaboveroomtemperatureinjanusmn2clsehantiferromagneticsemiconductorwithalargeoutofplanepiezoelectricity AT lilizhang spinsplittingaboveroomtemperatureinjanusmn2clsehantiferromagneticsemiconductorwithalargeoutofplanepiezoelectricity |