Silver(II) fluorides have recently emerged as analogues of undoped copper(II) oxides, particularly in terms of crystal and electronic structure including strong hybridization of metal and nonmetal states.¹Notably, AgF₂, the simplest silver(II) fluoride, is the first true analogue of La₂CuO₄.²

Pressure has been suggested early on as one of possibilities to turn this antiferromagnetic insulator to a superconductor.³However, subsequent experimental and theoretical studies showed that rather than becoming metallic, AgF₂undergoes two pressure-induced structural phase transitions,⁴while preserving very strong magnetic superexchange, and broad band gap.⁵

We have therefore turned to doped AgF₂, in analogy to underdoped cuprates, which become superconducting under elevated pressure.⁶

Here, we will present theoretical calculations of both electron- and hole-doped AgF₂at elevated pressure, utilizing the 2x2x2 supercell (Z=32), at doping levels of 1/32, 1/16, and 1/8, corresponding formally to underdoped regime (per analogy to cuprates). Doping is realized by removal or addition of appropriate number of F atoms. By doing so, we were conscious of the consequences originating from the Maximum Hardness Principle.⁷ We analyze impact of external pressure up to 10 GPa on structural, magnetic and electronic features of the doped phases, and especially the “1/8-anomaly” regime.⁸

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