Valence band energy distribution curve (EDC) of: hexagonal , hexagonal -NbN, and cubic -NbN (NaCl type).
Valence band spectra of (a) hexagonal and (b) -NbN compared to that of the cubic -NbN. (c) Comparison of valence band spectra of and -NbN. Difference spectra (lowest curve) obtained by subtracting the data are also reported.
Total density of states (DOS) for hexagonal , hexagonal -NbN, and cubic -NbN, as obtained from the VASP code. Fermi levels are set to 0 eV.
Partial density of states (DOS) for (a) cubic -NbN and (b) hexagonal -NbN, exemplifying the bonding in the binary nitrides studied. Fermi levels are set to 0 eV.
Binding energies of core levels of N and Nb , energy difference values , hardness values of hexagonal and -NbN, and cubic -NbN nitrides.
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