Magnetic properties of 3d transition metal chains on vicinal Cu(111) surface

Density functional theory (DFT) is applied in our study to describe magnetic properties of 3d transition metal (TM) nanowires on a stepped Cu(111) surface. The basic template to study such metallic chains on the Cu(111) surface is an embedded Fe chain at one-atom distance away from the upper edge of the monoatomic surface step. Chains of 3d transition metal atoms from Sc to Ni are added on top of the Fe chain. At the beginning of the 3d row, the chains show antiferromagnetic order. A small energy difference between ferromagnetic and antiferromagnetic order is obtained for the Mn–Fe system. Cr forms an antiferromagnetic chain, whereas Fe, Co, and Ni chains are ferromagnetically coupled to the embedded Fe chain.