Figure 3: Projected density of states (PDOS) and intramolecular exchange coupling.
From: Spin coupling and relaxation inside molecule–metal contacts
(a) PDOS of CuPc and NiPc on Ag(100) calculated by DFT. The projection onto the different molecular orbitals is given by solid lines; shaded areas indicate the metal d-character of each state. (b) Spin density of neutral and anionic CuPc and NiPc species in the gas-phase. The sign of the spin is indicated in red/green.
