Effective control of the ferromagnetism and magnetic anisotropy in MoSeTe monolayer doped with transition metals through charge carrier doping
4 affiliations
- 1Institute of Green and Sustainable Technology, Thu Dau Mot University Ho Chi Minh City Vietnam
- 2Universidad Nacional Autónoma de México, Centro de Nanociencias y Nanotecnología Apartado Postal 14 Ensenada Baja California Código Postal 22800 Mexico
- 3Institute of Theoretical and Applied Research, Duy Tan University Ha Noi 100000 Vietnam
- 4School of Engineering and Technology, Duy Tan University Da Nang 550000 Vietnam
Abstract
In this work, effective magnetism engineering in the Janus MoSeTe monolayer is studied by doping with transition metals (TMs = Mn and Fe). At equilibrium, the MoSeTe monolayer is a nonmagnetic direct-gap semiconductor with an energy gap of 1.27 eV. Mn and Fe impurities induce significant magnetism in the MoSeTe monolayer with perpendicular magnetic anisotropy (PMA) and total magnetic moments of 1.00 and 2.00µB, respectively. Herein, the TM dopant atoms primarily originate the system magnetic moment. Further, ferromagnetism with a high Curie temperature is confirmed in 2TM- and 3TM-doped MoSeTe monolayers (2TM@MST and 3TM@MST systems). The PMA is confirmed for 2Mn@MST and 3Fe@MST systems, while 2Fe@MST and 3Mn@MST systems exhibit in-plane magnetic anisotropy (IMA). Moreover, the calculated spin-resolved band structures assert strong spin polarization around the Fermi level of these doped systems, producing either magnetic semiconductor or half-metallic behaviors. Further, charge carrier doping is applied to modify the spin coupling and magnetic anisotropy. It is found that the ferromagnetism is maintained in all cases, suggesting its robustness. Moreover, in some cases, this property can be enhanced significantly, where very high Curie temperatures of 1124.19 and 1173.78 K can be obtained for the 2Fe@MST system by doping with 1.0 and 0.5 holes per supercell, respectively. The easy magnetization axis and its strength can be also controlled effectively by carrier levels. Our calculations confirm the IMA-to-PMA switching for 2Fe@MST and 3Mn@MST systems, meanwhile the PMA is preserved in the remaining cases with the enhancement. In addition, charge carrier doping is also predicted to induce the transition from magnetic semiconductor to half-metallic behavior, and vice versa. Our results introduce effective approaches to functionalize the Janus MoSeTe monolayer towards spintronic applications, where the carrier-controlled properties may be essential for its selective applications in MRAMs fabrication and magnetic field sensing.
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BibTeX
@article{ngoc2026effective,
title = {{Effective control of the ferromagnetism and magnetic anisotropy in MoSeTe monolayer doped with transition metals through charge carrier doping}},
author = {Hoang Van Ngoc and Mario H. Farías and Sergio A. Aguila and J. Guerrero-Sanchez and D. M. Hoat},
journal = {RSC Advances},
year = {2026},
month = nov,
doi = {10.1039/d6ra05391b},
url = {https://doi.org/10.1039/d6ra05391b},
note = {CC BY-NC 3.0},
}
RIS
TY - JOUR
TI - Effective control of the ferromagnetism and magnetic anisotropy in MoSeTe monolayer doped with transition metals through charge carrier doping
AU - Hoang Van Ngoc
AU - Mario H. Farías
AU - Sergio A. Aguila
AU - J. Guerrero-Sanchez
AU - D. M. Hoat
PY - 2026
DA - 2026/11/04
JO - RSC Advances
DO - 10.1039/d6ra05391b
UR - https://doi.org/10.1039/d6ra05391b
AB - In this work, effective magnetism engineering in the Janus MoSeTe monolayer is studied by doping with transition metals (TMs = Mn and Fe). At equilibrium, the MoSeTe monolayer is a nonmagnetic direct-gap semiconductor with an energy gap of 1.27 eV. Mn and Fe impurities induce significant magnetism in the MoSeTe monolayer with perpendicular magnetic anisotropy (PMA) and total magnetic moments of 1.00 and 2.00µB, respectively. Herein, the TM dopant atoms primarily originate the system magnetic moment. Further, ferromagnetism with a high Curie temperature is confirmed in 2TM- and 3TM-doped MoSeTe monolayers (2TM@MST and 3TM@MST systems). The PMA is confirmed for 2Mn@MST and 3Fe@MST systems, while 2Fe@MST and 3Mn@MST systems exhibit in-plane magnetic anisotropy (IMA). Moreover, the calculated spin-resolved band structures assert strong spin polarization around the Fermi level of these doped systems, producing either magnetic semiconductor or half-metallic behaviors. Further, charge carrier doping is applied to modify the spin coupling and magnetic anisotropy. It is found that the ferromagnetism is maintained in all cases, suggesting its robustness. Moreover, in some cases, this property can be enhanced significantly, where very high Curie temperatures of 1124.19 and 1173.78 K can be obtained for the 2Fe@MST system by doping with 1.0 and 0.5 holes per supercell, respectively. The easy magnetization axis and its strength can be also controlled effectively by carrier levels. Our calculations confirm the IMA-to-PMA switching for 2Fe@MST and 3Mn@MST systems, meanwhile the PMA is preserved in the remaining cases with the enhancement. In addition, charge carrier doping is also predicted to induce the transition from magnetic semiconductor to half-metallic behavior, and vice versa. Our results introduce effective approaches to functionalize the Janus MoSeTe monolayer towards spintronic applications, where the carrier-controlled properties may be essential for its selective applications in MRAMs fabrication and magnetic field sensing.
SN - 2046-2069
ER -