Fig. 4: Band structure, DOS, and VBM/CBM crystal orbitals of CN and Aux-CN.

Band structure and DOS of a CN and b Aux-CN. Red dash lines in Aux-CN mark the positions of CMB and VBM for CN. VBM/CBM crystal orbitals of c CN and d Aux-CN. Gray coloring indicates carbon atoms, blue indicates nitrogen, and orange indicates gold. Source data are provided as a Source Data file.