Fig. 4: Calculated potential phase diagram of the Pr-IrO3-O2 system.
From: Searching for a route to synthesize in situ epitaxial Pr2Ir2O7 thin films with thermodynamic methods
Calculated potential phase diagram of the Pr-IrO3-O2 system at 1163 K (890 °C) and total pressure of 1 atm (760 Torr) with the partial pressures of O2 (PO2) and IrO3 (PIrO3) plotted (a), the zoomed-in diagram and the experimental comparison from the co-sputtering results (b). In the calculated phase diagram, the points represent three-phase equilibrium, the lines two-phase equilibrium, and the areas one-phase equilibrium. Here, 227 represents Pr2Ir2O7 and 317 represents Pr3IrO7. The cross-point of “317 + Pr7O12 + Ir” is located at [2 × 10−2, 9 × 10−8] Torr with respect to PO2 and PIrO3, respectively, whereas the minimum partial pressures are [9, 8 × 10−4] Torr of the equilibria of “317 + 227 + Ir” in order to form Pr2Ir2O7. It is worth noting that the gas single-phase boundary here located at 760 Torr reflects the 1 atm pressure condition of our calculation.
