Fig. 5
Formation energies of La and Si defects in HfO2 t-phase in dependence on the supercell size, according to Eq. (1). 2 × 2 × 2 corresponds to ξ = 1 nm
Fig. 5 | npj Computational Materials
Formation energies of La and Si defects in HfO2 t-phase in dependence on the supercell size, according to Eq. (1). 2 × 2 × 2 corresponds to ξ = 1 nm
