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Tuning electronic and magnetic properties of Fe-doped MgCl2 monolayer by charge doping: a first-principles study

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In this work, Fe doping is proposed for magnetism engineering of MgCl2 monolayer, where electronic and magnetic properties are further modified by hole and electron doping. At equilibrium, the MgCl2 monolayer is a two-dimensional (2D) insulator with a large ba... ...