Abstract
By first-principles calculations, the ground state of monolayer Ti2N is predicted to be ferromagnetic (FM) metal. Applying a vertical external electric field, we investigated the variation of its lattice constants, the magnetic moments (MMs) of Ti atoms, the band structures and the magnetic anisotropy energy (MAE). In addition, using mean-field approximation method, the Curie temperature (TC) of monolayer Ti2N is estimated to be 39 K. With the increase of the electric field, the exchange parameters decrease, which results in the reduction of TC. Our research provides an important theoretical basis for the manipulation of magnetic MXene nano-devices.
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