Hole-doping-induced half-metallic ferromagnetism in highly-air-stable PdSe2 monolayer under uniaxial stress

Abstract

Two-dimensional (2D) high-temperature ferromagnetic materials are important for spintronic application. Fortunately, a highly-air-stable PdSe${}_2$ monolayer semiconductor has been made through exfoliation from the layered bulk material. It is very highly desirable to realize robust ferromagnetism, even half-metallic ferromagnetism (100\% spin polarization), in such excellent nonmagnetic monolayer semiconductors. Here, the first-principles investigation shows that the PdSe${}_2$ monolayer can be made to attain Stoner ferromagnetism with the maximal Curie temperature reaching to 800K, and the hole concentration threshold for ferromagnetism decreases with applied uniaxial stress. Furthermore, half-metallicity can be achieved in some hole concentration regions. For the strain of 10\% (uniaxial tensile stress of 4.4 N/m), the monolayer can attain half-metallic ferromagnetism up to 150 K. The magnetic anisotropic energy is suitable to not only stabilizing the 2D ferromagnetism but also realizing fast magnetization reversal. The magnetization can be also controlled by applying a transverse uniaxial stress. The highly-air-stable PdSe${}_2$ monolayer, with these advantages, should be promising for spintronic applications.

arXiv comment7 pages, 5 figures

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• Pressure-Tunable Ambipolar Conduction and Hysteresis in Ultrathin Palladium Diselenide Field Effect Transistors
• Quasiparticle band structures of bulk and few-layer PdSe2 from first-principles GW calculations
• Structural transition, metallization and superconductivity in quasi 2D layered PdS${}_2$ under compression
• Pressure-induced structural transition, metallization, and topological superconductivity in PdSSe
• Ferromagnetic MnSn monolayer epitaxially grown on silicon substrate
• Half-metallic ferromagnetism in layered CdOHCl induced by hole doping