Edge Magnetism in MoS Nanoribbons: Insights from a Simple One-Dimensional Model.

Edge magnetism in zigzag nanoribbons of monolayer MoS2 has been investigated with both density functional theory and a tight-binding plus Hubbard (TB+) Hamiltonian. Both methods revealed that one band crossing the Fermi level is more strongly influenced by spin polarization than any other bands. This band originates from states localized on the sulfur edge of the nanoribbon.