Figure 5: Density of occupied states of the full and partial clusters. | Nature Communications

Figure 5: Density of occupied states of the full and partial clusters.

From: Information on quantum states pervades the visible spectrum of the ubiquitous Au144(SR)60 gold nanocluster

Figure 5

We show the DOS of the Kohn–Sham ground-state calculation for the full Au144(SR)60 cluster, with R=CH3, compared with that of the Grand Core of 114 Au atoms and that of the ad hoc structure of all 144 Au atoms. These are the structures for which the spectra are compared in Fig. 3. In addition, we show the DOS of the Inner Core, Au54. The occupied states shown here belong mostly to the d band. The zero of the energy axis is the Fermi energy, a broadening of 0.1 eV is applied.

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