Pnictogen-codoping-induced magnetic anisotropy switching in Mn-doped WSTe Janus monolayers: a first-principles study.
7 affiliations
- 1Institute of Theoretical and Applied Research, Duy Tan University Ha Noi 100000 Vietnam.
- 2School of Engineering and Technology, Duy Tan University Da Nang 550000 Vietnam.
- 3Laboratory for Computational Physics, Institute for Computational Science and Artificial Intelligence, Van Lang University Ho Chi Minh City Vietnam [email protected] [email protected].
- 4Faculty of Mechanical, Electrical, and Computer Engineering, Van Lang School of Technology, Van Lang University Ho Chi Minh City Vietnam.
- 5Faculty of Basic Sciences, Nam Can Tho University 168 Nguyen Van Cu Street, An Binh Ward Can Tho City Vietnam [email protected].
- 6Faculty of Physics, TNU-University of Education Thai Nguyen 250000 Vietnam.
- 7Universidad Nacional Autónoma de México, Centro de Nanociencias y Nanotecnología Apartado Postal 14 Ensenada Baja California Código Postal 22800 Mexico.
Abstract
In this work, magnetism engineering of the WSTe Janus monolayer is investigated using first-principles calculations. The pristine monolayer is a nonmagnetic semiconductor with an indirect band gap of 1.24 eV. Monolayer magnetization with a magnetic semiconductor nature is achieved by doping with P atoms, whereas As doping preserves the nonmagnetic nature and causes metallization of the monolayer. It is found that Mn doping leads to the emergence of ferromagnetism with a high Curie temperature of up to 876.13 K. In-plane magnetic anisotropy (IMA) is induced at small Mn-Mn separations (2Mn₁), whereas larger separations (2Mn₂) lead to the emergence of perpendicular magnetic anisotropy (PMA). Codoping with pnictogen atoms weakens the ferromagnetism in the Mn-doped systems, resulting in reduced Curie temperatures. Interestingly, the presence of additional pnictogen atoms leads to IMA-to-PMA switching in the 2Mn₁-doped system, and PMA-to-IMA switching in the case of the 2Mn₂ doping configuration. In all cases, a magnetic semiconductor nature is obtained, which could be enhanced by pnictogen codoping. Our results introduce Mn doping as an effective method to induce magnetic states in the WSTe Janus monolayer, where the magnetic anisotropy could be controlled by codoping with P and As atoms. These findings provide valuable theoretical guidance for tailoring the WSTe Janus monolayer for applications in magnetic-field sensing and magnetic-random-access-memory (MRAM) devices.
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BibTeX
@article{hoat2026pnictogencodopinginduced,
title = {{Pnictogen-codoping-induced magnetic anisotropy switching in Mn-doped WSTe Janus monolayers: a first-principles study.}},
author = {D M Hoat and Dat D Vo and Nguyen Hai Dang and Chu Viet Ha and Duy Khanh Nguyen and J Guerrero-Sanchez},
journal = {RSC advances},
year = {2026},
month = oct,
doi = {10.1039/d6ra06843j},
url = {https://europepmc.org/article/MED/42904132},
note = {CC BY-NC},
}
RIS
TY - JOUR
TI - Pnictogen-codoping-induced magnetic anisotropy switching in Mn-doped WSTe Janus monolayers: a first-principles study.
AU - D M Hoat
AU - Dat D Vo
AU - Nguyen Hai Dang
AU - Chu Viet Ha
AU - Duy Khanh Nguyen
AU - J Guerrero-Sanchez
PY - 2026
DA - 2026/10/20
JO - RSC advances
DO - 10.1039/d6ra06843j
UR - https://europepmc.org/article/MED/42904132
AB - In this work, magnetism engineering of the WSTe Janus monolayer is investigated using first-principles calculations. The pristine monolayer is a nonmagnetic semiconductor with an indirect band gap of 1.24 eV. Monolayer magnetization with a magnetic semiconductor nature is achieved by doping with P atoms, whereas As doping preserves the nonmagnetic nature and causes metallization of the monolayer. It is found that Mn doping leads to the emergence of ferromagnetism with a high Curie temperature of up to 876.13 K. In-plane magnetic anisotropy (IMA) is induced at small Mn-Mn separations (2Mn₁), whereas larger separations (2Mn₂) lead to the emergence of perpendicular magnetic anisotropy (PMA). Codoping with pnictogen atoms weakens the ferromagnetism in the Mn-doped systems, resulting in reduced Curie temperatures. Interestingly, the presence of additional pnictogen atoms leads to IMA-to-PMA switching in the 2Mn₁-doped system, and PMA-to-IMA switching in the case of the 2Mn₂ doping configuration. In all cases, a magnetic semiconductor nature is obtained, which could be enhanced by pnictogen codoping. Our results introduce Mn doping as an effective method to induce magnetic states in the WSTe Janus monolayer, where the magnetic anisotropy could be controlled by codoping with P and As atoms. These findings provide valuable theoretical guidance for tailoring the WSTe Janus monolayer for applications in magnetic-field sensing and magnetic-random-access-memory (MRAM) devices.
SN - 2046-2069
ER -