Structural, magnetic, and electronic properties of the NiO monolayer epitaxially grown on the (001) Ag surface: an ab initio density functional study

A periodic slab model consisting of five layers of Ag covered on both side by NiO monolayers is adopted to stimulate the properties of ultrathin layers of nickel oxide epitaxially grown on silver (001). The presence of the metallic substrate is found to influence the structural, electronic, and magnetic properties of the overlayer but only to a limited extent.