Fig. 3: Local spin states of the Co adatoms in Kn/Au(111).
From: Molecular molds for regularizing Kondo states at atom/metal interfaces
a Spin density distribution of a bare Co atom and a Kn (\(n=1,2^{\prime} ,3\)) adsorbed on different sites of the Au(111) surface. The isosurface of 0.05 Å−3 is shaded in red. b PDOS of dπ orbitals of the captured Co adatom in a K1. Positive (negative) values represent spin-up (spin-down) electrons. Δs is the half-width of the split peaks which constitute the main contribution to the local spin moment. The upper right inset is an orbital diagram showing the relative position and electron occupancy of every d orbital of the Co adatom, where the thickness of a line indicates the broadening of the orbital by its surrounding environment, and a solid (dotted) arrow represents one (half an) electron residing on the orbital. The lower left inset displays the PDOS of dπ orbitals of a captured Co adatom in each of the Kn complexes (\(n=1,2,2^{\prime} ,3,4\)). The dashed lines mark the full width of the main peaks, which are shifted and aligned horizontally for a clear comparison. The lower right inset depicts the variation of Δs versus n.
