Fig. 4
From: Controlled spin switching in a metallocene molecular junction
Transmission and PDOS of the molecular junction. a Spin-resolved electron transmission as a function of electron energy with respect to the Fermi energy for the Nc-tip above Cu(100). The thick line corresponds to the tunneling configuration (Fig. 3c) and the thin line to the contact configuration (Fig. 3d). b Density of states projected (PDOS) onto the C(2p) and Ni(3d) atomic orbitals for the tunneling (thick line) and for the contact (thin line) regimes. A comparison between SIESTA and VASP results can be found in Supplementary Fig. 6
