In this work, we study comparatively the effects of Fe substitution on the electronic and magnetic properties of silicene and silicane monolayers. Silicene monolayer exhibit the semimetal character. The full hydrogenation is predicted to open silicene band gap, where an indirect gap of 2.19 eV is obtained for silicane monolayer. The Si-Si chemical bond is predominantly covalent, while Si-H bond exhibits both ionic and covalent characters. Single Fe atom induces significant magnetism with total magnetic moments of 4.89 and 4.00 \(\mu _{B}\) for 1Fe@cene and 1Fe@cane systems, respectively. Herein, Fe impurity produces primarily the magnetism with local magnetic moments of 3.49 and 3.36 \(\mu _{B}\) , respectively. It is found also that antiferromagnetic state is stable in Fe-doped silicene monolayer, meanwhile Fe-doped silicane monolayer can be classified as ferromagnetic two-dimensional (2D) material with high Curie temperature of ~ 574 K. The perpendicular magnetic anisotropy (PMA) is found in all cases, where the out-of-plane magnetization in Fe-doped silicane monolayer is found to be stronger than in Fe-doped silicene monolayer. The emergence of the half-metallic ferromagnetism with high Curie temperature and PMA feature suggests Fe doping as efficient way to make silicane monolayer suitable for spintronic applications. Our findings provide important understanding on different effects of Fe doping on silicene and silicane monolayer, which could be extended to study the semimetal 2D materials and their semiconductor derivatives.
