Interfacial Properties of Stanene/Metal contacts

Recently, two-dimensional buckled honeycomb stanene has been fabricated by molecular beam epitaxy growth. Free-standing stanene is predicted to have a sizable opened band gap of 0.1 eV at the Dirac point due to spin-orbital couplings(SOC), resulting in many fascinating properties such as quantum spin Hall effect, quantum anomalous Hall effect, and quantum valley Hall effect. We systematically study the interfacial properties of stanene/metal interfaces(metals = Ag, Au, Cu, Pd, Pt, Ir, Al, and Ni) for the first time by using ab initio energy band calculations with inclusion of the SOC effects. The honeycomb structure of stanene is preserved on the metal supports, but the buckling height is changed. The buckling of stanene on the Au, Al, Ag, and Cu metal supports is higher than that of free-standing stanene. By contrast, a planar graphene-like structure is stabilized for stanene on the Ir, Pd, Pt, and Ni metal supports. Stanene has undergone a metallization on all the metal supports because of its structural di...Recently, two-dimensional buckled honeycomb stanene has been fabricated by molecular beam epitaxy growth. Free-standing stanene is predicted to have a sizable opened band gap of 0.1 eV at the Dirac point due to spin-orbital couplings(SOC), resulting in many fascinating properties such as quantum spin Hall effect, quantum anomalous Hall effect, and quantum valley Hall effect. We systematically study the interfacial properties of stanene/metal interfaces(metals = Ag, Au, Cu, Pd, Pt, Ir, Al, and Ni) for the f上海大学物理系、上海大学材料基因组工程研究院、上海大学量子与分子结构国际中心