Electronic properties of fluoride and half-fluoride superlattices KZnF 3 /KAgF 3 and SrTiO 3 /KAgF 3

Abstract

We present the formation of cupratelike electronic structures in KAgF 3 -related superlattices resulted from the confinement together with structural chemical modification by using the generalized gradient approximation augmented with maximally localized Wannier functions analysis. Strong antiferromagnetic coupling found in bulk KAgF 3 is held in purely-fluoride KZnF 3 /KAgF 3. Under 4% in-plane compression strain, its Fermi surface shape breaks away from the edge of electron pocket and resembles that of La 2 CuO 4. While within half-fluoride SrTiO 3 /KAgF 3, out-of-plane electronic reconstruction results in electron doping of AgF 2 plane and antiferromagnetic state instability, and the Fermi surface shape presents considerable similarity to that in HgBaCuO 4. These results shed light on two dimensional antiferromagnetic precursors of a new Ag II family of high-temperature superconductors.