Fig. 1. Correlation between decomposition pressures of diverse silver halides and the electronegativity of the halogen elements. The dashed line for AgI indicates the experimental measurement.²⁹ Some of the data are drawn from a recent study.²²

Fig. 2. (a)–(d) Calculated ∆H, ∆U, and the P∆V term as functions of pressure for (a) AgF, (b) AgCl, (c) AgBr, and (d) AgI compounds with respect to the mixtures of their elements. This analysis also explores the electronegativity difference Δχ between halogen elements and silver as a function of pressure. (e)–(h) Volume differences between (e) AgF, (f) AgCl, (g) AgBr, and (h) AgI compounds and Ag + X mixtures as functions of pressure. Some of the data are drawn from a recent study.²²

Fig. 3. (a)–(d) pICOHP between Ag and X in AgX compounds. (e) COHP and projected COHP (pCOHP) between Ag-4d and F-2s, F-2p in AgF compounds and PDOS of Ag-4d under pressures in the range 0–400 GPa. (f) COHP and pCOHP between Ag-4d and Cl-3s, Cl-3p in AgCl compounds and PDOS of Ag-4d under pressures in the range 0–400 GPa. The antibonding states are filled by a light color.

Fig. 4. Downshift of Ag-4d band centers (ε_d) vs pressure for various AgX systems.