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).

arXiv comment22 pages, 3 figures for main manuscript, 7 Supplementary Figures, 4 Supplementary Tables

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• High-pressure phase transitions of zinc difluoride up to 55 GPa
• Computational study of antiferromagnetic and mixed-valent diamagnetic phase of AgF2: crystal, electronic and phonon structure and p-T phase diagram
• Fate of doped carriers in silver fluoride cuprate analogues
• Theoretical study of ternary silver fluorides AgMF4 (M = Co, Ni, Cu) formation at pressures up to 20 GPa
• Unexpected persistence of cis-bridged chains in compressed AuF3
• Gigantic work function in layered AgF2
• Charge ordering mechanism in silver fluoride AgF${}_2$
• Crystal structure, lattice dynamics and superexchange in MAgF3 1D antiferromagnets (M = K, Rb, Cs) and Rb3Ag2F7 Ruddlesden-Popper phase
• Superexchange interactions in AgMF4 (M = Co, Ni, Cu) polymorphs
• High-pressure phase transition of AB3-type compounds: case of tellurium trioxide
• Ag(II) as spin super-polarizer in metal fluoride clusters
• Evaluating covalency using RIXS spectral weights: Silver fluorides vs. cuprates
• Prediction of Novel Li-AgII-F Compounds using Evolutionary Algorithms