posted on 2025-07-09, 12:05authored byCheng-Wei Lee, Kingsley Egbo, Emily Garrity, Matthew Jankousky, Henry Garland, Andriy Zakutayev, Vladan Stevanovic
The Supplemental Material includes (1) effect of correction term on predicted net carrier concentration, (2) predicted pO2-T phase diagram for T-In2Si2O7, (3) 2Theta-Omega scans of thin films under different annealing environments, (4) AFM micrographs of T-In2Ge2O7 thin films grown by PLD, (5) predicted band structure for T- and P-In2Si2O7, (6) defect diagram under O-rich condition, (7) Tables on FERE values and enthalpy under pressure, (8) Four-phase equilibrium regions, and (9) defect formation energies for different dopant (10) density of states for defect calculations using HSE06 (11) GW rigid shift to PBE band edges