Fig. 3: Point defect formation energies in iron and iron oxides.
From: Development of an atomic cluster expansion potential for iron and its oxides
Point defect formation energies Ef as a function of the oxygen chemical potential ΔμO in (a) BCC Fe (O octahedral interstitials only), b Fe3O4, and c Fe2O3 predicted by ACE. ΔμO is referenced with respect to O in the O2 molecule.
