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• W2322386310 abstract "The electronic and magnetic properties of hydrogenated monolayer MoS${}_{2}$ subject to equibiaxial tensile strain are systematically investigated using first-principles calculations. It is shown that at the strain-free state, the hydrogenated MoS${}_{2}$ is an $n$-type semiconductor with no spontaneous magnetism. As the tensile strain increases, however, a ground-state transition from nonmagnetism to ferromagnetism (FM) occurs with simultaneously enhanced magnetic moment and stability. The maximum FM state is achieved at a strain of 6.6$%$, which corresponds to Curie temperature ${T}_{c}$ of 232 K. As the strain increases further, both strength and stability of the ferromagnetic state weaken and eventually vanish due to the enhanced ionic character in Mo-S bonds and the resulting delocalization of Mo $d$ orbitals. Similar behavior is also predicted in hydrogenated monolayer MoSe${}_{2}$. The present work by combining chemical functionalization and strain engineering provides a route to harness the magnetic properties of two-dimensional transition metal dichalcogenides for spintronic applications." @default.
• W2322386310 created "2016-06-24" @default.
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• W2322386310 date "2013-11-12" @default.
• W2322386310 modified "2023-10-10" @default.
• W2322386310 title "Strong ferromagnetism in hydrogenated monolayer MoS<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:msub><mml:mrow /><mml:mn>2</mml:mn></mml:msub></mml:math>tuned by strain" @default.
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• W2322386310 doi "https://doi.org/10.1103/physrevb.88.205305" @default.
• W2322386310 hasPublicationYear "2013" @default.
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