▎ 摘 要
Spin-orbit (SO) splitting in Ni doped graphene was examined on the basis of density-functional theory. Due to the inversion asymmetry induced by the graphene-Ni interaction, Rashba-type SO effect would be expectable in the Vacuum/Ni-monolayer/Graphene structure. Surprisingly, detectable SO splitting can be obtained in the systems without heavy metals. The SO splitting can be up to about 100 meV near the Fermi level. The Rashba parameter is about 0.17 eV angstrom/(h) over bar, half of that of the Au(111) surface state. Interestingly, the SO coupling constant can be positive or negative for different bands. (C) 2014 Elsevier B.V. All rights reserved.