Magnetic and transport properties of two-dimensional ferromagnet VSe2 with Se vacancies

[Display omitted] •Se bivacancy cause semiconductor-half-metal transition with 100% spin polarization.•The direction of easy magnetization axes remain unchanged with Se vacancies.•MAE and Curie temperatures of Se vacancy defective monolayers increase with strain.•The direction of easy magnetization...

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Bibliographic Details
Published in:Journal of magnetism and magnetic materials 2023-05, Vol.574, p.170683, Article 170683
Main Authors: Wei, Mengjie, Ma, Haoran, Ye, Haoshen, Wang, Jianli, Bai, Dongmei
Format: Article
Language:English
Subjects:
Electronic conductivity
Room-temperature ferromagnetism
Se vacancy
Strain
VSe2 monolayer
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Summary:[Display omitted] •Se bivacancy cause semiconductor-half-metal transition with 100% spin polarization.•The direction of easy magnetization axes remain unchanged with Se vacancies.•MAE and Curie temperatures of Se vacancy defective monolayers increase with strain.•The direction of easy magnetization axes remains unchanged under strain.•A larger doping range is obtained by Se vacancies for pure spin-polarized current.•Defective VSe2 monolayer is highly promising for new spintronic nanodevices. As a room-temperature van der Waals intrinsic ferromagnetic semiconductor, monolayer VSe2 was studied extensively for both fundamental research and potential low-dimensional semiconductor spintronic applications. Defects are inevitably encountered and can affect the electronic, magnetic, and transport properties during the experimental synthesis of VSe2 monolayer. However, the study of defects in VSe2 monolayer is still lacking at the atomic level. Here, the electronic, magnetic, and transport properties of VSe2 monolayer with Se vacancies are investigated by first-principles density-functional method. With the direction of easy magnetization axes unchanged, introducing Se vacancies results in the decrease of magnetic anisotropy energy and Curie temperature, which can be further increased by applying in-plane biaxial strain. After Se vacancies are introduced, the conductivity of the system decreases, while the larger doping range is obtained for pure spin-polarized current. The transition from semiconductor to half-metal with 100% spin polarization can be realized by introducing Se bivacancy in VSe2 monolayer, which is highly promising for next-generation spin filter, spin injection and spin transport nanodevices. PACS: 61.72.jd; 73.20.At; 75.50.Pp; 75.70.Ak
ISSN:0304-8853
DOI:10.1016/j.jmmm.2023.170683