Structural, electronic and magnetic properties of a symmetrical FeReO terminated (001)-oriented slab of double perovskite Sr2FeReO6

► An outwards relaxation occurs for layer 1-layer 4 with a decreasing rumpling. ► The O atom is closer to the adjacent Re atom than to the adjacent Fe atom. ► Half-metallic nature ensures Sr2FeReO6 slab a potential spintronic application. ► The Fe+3 (3d5) and Re+5 (5d2) ions are in antiferromagnetic coupling.