The effects of transition metal adatoms on the electronic properties of stanene

The electronic characteristics of transition metal adatoms (Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Os, Ir, Pt and Au) adsorbed on monolayer stanene have been investigated by using the first-principles calculations. The results show that the transition metal atoms are energetically favorable at the hollow and top sites of the stanene. Stanene has good adsorption capacity to foreign adsorbed atoms, and the adsorption energy is up to 6.241 eV, which is stronger than that of phosphorene and graphene. For Ni-, Ruand Pd-adatoms, a narrow bandgap is opened in the monolayer stanene with the bandgap of 109.4 meV, 69.6 meV and 32.4 meV, respectively. The adsorption of Fe, Co, Cu, Ag, and Au adatoms upshifts the Fermi level to the conduction band and causing n-type doping. For the Fe-, Co-, Ru-, Rhand Os-adsorbed stanene, it can be found that the magnetic moments are 3.144 mu(B), 2.024 mu(B), 2.028 mu(B), 1.007 mu(B) and 1.995 mu(B), respectively. Interestingly, for Os-adsorbed stanene, the spin upward is a metal, and the spin down is a semiconductor with 215.5 meV, namely, it shows the half-metallicity. The remaining (Fe-, Co-, Cu-, Ag-, Pt-) adsorbed stanene all exhibit metallic character. Our results indicate that the transition metal adsorption may be pave the way for the study of nanoelectronics and spintronics of stanene.