Prediction of Stable Silver Fluorides

Silver fluorides form a variety of stable compounds at ambient and high-pressure conditions, but existing experiments and theoretical predictions provide an incomplete picture. Using a first-principles variable-composition evolutionary algorithm, we searched for stable silver fluorides at pressures up to 300 GPa. The obtained pressure–composition phase diagram is rather different from previous theoretical results and contains hitherto unknown phases. We discuss the predicted phases and provide a detailed description of the electronic correlation effects in the Ag–F system.