“…48,49 Moreover, strain 33,50 and stacking order 19,33,[48][49][50][51][52] are widely used methods to modulate the tunneling magneto-resistances, 29,53 magneto-optical effects, 54 light scattering 31 and topological properties of materials. 15,55,56 In this article, using first-principles methods with vdW interaction corrections, [57][58][59] we investigate the geometric, magnetic, and electronic properties and stability of ML Janus Cr 2 Cl 3 I 3 using hybrid functional-HSE06. 60,61 ML Janus Cr 2 Cl 3 I 3 breaks the out-of-plane mirror symmetry, which would introduce some new properties.…”