Abstract
Recently, the experimental advances for the fabrication of various borophene sheets introduced novel lattice structures with a wide prospect of practical applications. Borophene with various structural polymorphs are metallic and nonmagnetic, which greatly limits its application in nanoelectronic and spintronic devices. Here, we predict that the 3d transition-metal adsorption is an effective approach to tailor the electronic structure of borophene by density functional theory. The Cr- and Mn-absorbed borophenes show magnetism, while non-magnetic states appear in Sc-, Ti-, V-, Fe-, Co-, Ni-, Cu- and Zn-adsorbed systems. Especially, Fe-adsorbed χ3 borophene is a non-magnetic semiconductor, whose gap opening and magnetic moment can be tailored by strain. Our work provides a clue for exploring the method to tailor the magnetic and electronic properties of two dimensional monolayer borophene.
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