Fig. 4: Energy difference between different orbitals.
Energy difference between eg- and p-orbitals (Δ1), t2g- and p-orbitals (Δ2) and eg- and t2g-orbitals (Δ3) for (a) different chalcogen (X) and (b) halogen atoms (Y).
Fig. 4: Energy difference between different orbitals. | npj Computational Materials
