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• W1550489849 abstract "The stable configurations and electronic and magnetic properties of nonmetal atoms (H, N, P, O, S, F, and Cl) adsorbed ReS2 monolayers have been investigated by first-principles calculations. It is found that H, O, S, F, and Cl prefer to occupy the peak sites of S atoms, while both N and P atoms favor the valley sites of S atoms. The ReS2 sheet exhibits a good adsorption capability to nonmetal atoms. The reconstruction of the surface is pronounced in N- and P-adsorbed ReS2 monolayers. In H-adsorbed case, the Fermi level is pulled into the conduction band, which results in the semiconductor-metal transition. The same magnetic moment of 1μB is found in the N-, P-, F-, and Cl-adsorbed ReS2 monolayers, while the mechanisms of forming magnetic moment for N (P)- and F (Cl)-adsorbed cases are different. In addition, the spatial extensions of spin density in P-, F-, and Cl-adsorbed cases are larger than that in N-adsorbed case, which is more suitable to achieve long-range magnetic coupling interaction at low defect concentrations. Our results provide insight for achieving metal-free magnetism and a tunable band gap for various electronic and spintronic devices based on ReS2." @default.
• W1550489849 created "2016-06-24" @default.
• W1550489849 creator A5017709801 @default.
• W1550489849 creator A5065907743 @default.
• W1550489849 date "2015-08-13" @default.
• W1550489849 modified "2023-10-11" @default.
• W1550489849 title "Electronic and magnetic properties of nonmetal atoms adsorbed ReS2 monolayers" @default.
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• W1550489849 doi "https://doi.org/10.1063/1.4928460" @default.
• W1550489849 hasPublicationYear "2015" @default.
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