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• W4288713265 endingPage "455706" @default.
• W4288713265 startingPage "455706" @default.
• W4288713265 abstract "Abstract Two-dimensional (2D) semiconducting transition metal dichalcogenides can be used to make high-performance electronic, spintronic, and optoelectronic devices. Recently, room-temperature ferromagnetism and semiconduction in 2D VSe 2 nanoflakes were attributed to the stable 2H-phase of VSe 2 in the 2D limit. Here, our first-principles investigation shows that a metastable semiconducting H′ phase can be formed from the H VSe2 monolayer through uniaxial stress or uniaxial strain. The calculated phonon spectra indicate the dynamical stability of the metastable H′ VSe 2 and the path of phase switching between the H and H′ VSe 2 phases is calculated. For the uniaxial stress (or strain) scheme, the H′ phase can become lower in total energy than the H phase at a transition point. The H′ phase has stronger ferromagnetism and its Curier temperature can be enhanced by applying uniaxial stress or strain. Applying uniaxial stress or strain can substantially change spin-resolved electronic structures, energy band edges, and effective carrier masses for both of the H and H′ phases, and can cause some flat bands near the band edges in the strained H′ phase. Further analysis indicates that one of the Se–Se bonds in the H′ phase can be shortened by 19% and the related Se–V–Se bond angles are reduced by 23% with respect to those of the H phase, which is believed to increase the Se–Se covalence feature and reduce the valence of the nearby V atoms. Therefore, structural and bond reconstruction can be realized by applying uniaxial stress in such 2D ferromagnetic semiconductors for potential spintronic and optoelectronic applications." @default.
• W4288713265 created "2022-07-30" @default.
• W4288713265 creator A5015492743 @default.
• W4288713265 creator A5077546305 @default.
• W4288713265 date "2022-08-23" @default.
• W4288713265 modified "2023-09-27" @default.
• W4288713265 title "Stress-driven structural and bond reconstruction in 2D ferromagnetic semiconductor VSe₂" @default.
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• W4288713265 doi "https://doi.org/10.1088/1361-6528/ac8558" @default.
• W4288713265 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35905699" @default.
• W4288713265 hasPublicationYear "2022" @default.
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