The discovery of ferromagnetism in monolayer transition metal halides exemplified by CrI has opened a new avenue in the field of two-dimensional (2D) magnetic materials, and more such 2D materials are waiting to be explored. Herein, using an unbiased structure search combined with first-principles calculations, we have identified a novel CuCl monolayer, which exhibits not only intrinsic ferromagnetism but also auxetic mechanical properties originating from the interplay of lattice and Cu-Cl tetrahedron symmetries. The predicted Curie temperature of CuCl reaches ∼47 K, and its ferromagnetism is associated with the strong hybridization between the Cu 3d and Cl 3p states in the configuration. Moreover, upon biaxial tensile strain or carrier doping, the CuCl monolayer can be converted from ferromagnetic to non-magnetic and from half-metal to metal. These properties endow this CuCl monolayer with great potential for applications in auxetic/spintronic nanodevices.
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