Dramatic enhancement of spin-spin coupling and quenching of magnetic dimensionality in compressed silver difluoride

Abstract

Meta-GGA calculations of the ambient and high-pressure polymorphs of silver difluoride indicate that the compression-induced structural changes lead to a 3.5-fold increase in the strength of antiferomagnetic spin-spin interactions resulting in coupling constant values higher than those found for record-holding oxocuprates(II).

22 pages, 3 figures for main manuscript, 7 Supplementary Figures, 4 Supplementary Tables