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• The energy bands of Fe and Mn co-adsorbed monolayers of SnSe 2 exhibit semi-metallicity. • As tensile strain increases, the adsorption system transitions from semi-metallic to metallic, accompanied. • The co-adsorption system's curie temperature is calculated to be 205.2 K. • The application of Fe and Mn double transition metal atoms to monolayer SnSe 2 may have potential. Pure 2D SnSe 2 is not magnetic, which limits its application in spintronics. However, magnetic properties can be induced in pure 2D SnSe 2 by introducing transition metal elements. In this study, we used first-principles calculations based on density-functional theory to predict the electronic structure and magnetic properties of monolayer SnSe 2 under adsorption of Fe and Mn double transition metal atoms. Our findings show that the energy bands of Fe and Mn co-adsorbed monolayers of SnSe 2 exhibit semi-metallicity. As tensile strain increases, the adsorption system transitions from semi-metallic to metallic, accompanied by an increase in total magnetic moment. Based on the Heisenberg model, the co-adsorption system's Curie temperature is calculated to be 205.2 K. Our studies suggest that the application of Fe and Mn double transition metal atoms to monolayer SnSe 2 may have potential in spintronics. [ABSTRACT FROM AUTHOR]

• The results show that all 3d transition metal adsorptions are relatively stable. • The InS monolayers adsorbed by Co, Cr, Fe, Mn, Sc, and V produce spin splitting. • The InS system adsorbed by Cr generates the largest magnetic moment of 5.28 μB. • MAE magnitudes of these adsorption systems range from −0.679546 meV/f.u. to 0.279594 meV/f.u. • The good potential of monolayer InS with adsorbed 3d transition metal for spintronics device applications. Based on the first principles, we have investigated the electronic structures and magnetic properties of monolayer InS adsorbed 3d transition metal (Co, Cr, Cu, Fe, Mn, Sc, Ti, V, Zn), The results show that all 3d transition metal adsorptions are relatively stable, except Ti atoms, with adsorption energies ranging from −0.36 eV to −3.82 eV. The results of band structure calculations show that the InS monolayers adsorbed by Co, Cr, Fe, Mn, Sc, and V produce spin splitting and generate magnetic moments of different sizes, among them, the InS system adsorbed by Cr generates the largest magnetic moment of 5.28 μB. The band structure and the density of states calculations indicate that the TM atoms have a strong interaction with the InS surface. We also calculated the magnetic anisotropy energies of the Co, Cr, Fe, Mn, Sc, and V adsorption systems, and the results show that the MAE magnitudes of these adsorption systems range from −0.679546 meV/f.u. to 0.279594 meV/f.u., which displays PMA/IMA properties. Our results demonstrate the good potential of monolayer InS with adsorbed 3d transition metal for spintronics device applications. [ABSTRACT FROM AUTHOR]