Doping of 3d Transition Metals o n Monolayer o f Graphene a nd Borophene

We Study the doping of various metallic 3d transition metal (TM) atoms like iron (Fe), Cobalt (Co), Copper (Cu) and Nickel (Ni) on monolayer of the borophene and graphene. These 2D layers show energy dispersion and metalloid properties because its band gap is very less or near to zero. We explored borophene is semi-metallic with the titled Dirac cone and graphene is semi metallic whose conduction and valence bands meets at Dirac cone. We analyzed the adsorption of 3d transition metal (TM) on the 2D layers through density functional theory (DFT) based calculations. In this paper, we observed the most suitable and acceptable adsorption site for each adatom, and calculated the binding energy per atom, density of states and magnetic moment of resulting borophene and graphene-adatom system. Here, we find that Nickel (Ni) is perfect as electron doping and iron (Fe) is the most effective for magnetically doped borophene. In the case of graphene we find that Co is most suitable for magnetically doping and Cu is best for electron doping.

Variation between Antiferromagnetism and Ferrimagnetism in NiPS3 by Electron Doping

How to electrically control magnetic properties of a magnetic material is promising towards spintronic applications, where the investigation of carrier doping effects on antiferromagnetic (AFM) materials remains challenging due to their zero net magnetization. In this work, we found electron doping dependent variation of magnetic orders of a two-dimensional (2D) AFM insulator NiPS3, where doping concentration is tuned by intercalating various organic cations into the van der Waals gaps of NiPS3 without introduction of defects and impurity phases. The doped NiPS3 shows an AFM-ferrimagnetic (FIM) transition at doping level of 0.2-0.5 electrons/cell and a FIM-AFM transition at doping level of ≥0.6 electrons/cell. We propose that the found phenomenon is due to competition between Stoner exchange dominated inter-chain ferromagnetic order and super-exchange dominated inter-chain AFM order at different doping level. Our studies provide a viable way to exploit correlation between electronic structures and magnetic properties of 2D magnetic materials for realization of magnetoelectric effect.