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. 2016 Jun 21;7:11962. doi: 10.1038/ncomms11962

Figure 4. Theoretical bandgaps of nitrides relevant to CaZn2N2 and its alloys.

Figure 4

(a) Bandgaps of CaZn2N2 and relevant isostructural ternary nitrides versus lattice parameter a, alongside those of GaN and InN. Theoretical and experimental values are shown with open and filled symbols, respectively; the experimental gap and lattice parameter of CaZn2N2 are obtained in the present study, whereas the other experimental values are from literature (see Supplementary Tables 4 and 8 for tabulated values and references). (b) Theoretical bandgaps of CaMg2xZn2(1−x)N2 and SrxCa1−xZn2N2 (0≤x≤1) alloys. The curves are quadratic fittings to Inline graphic, where Eg, Inline graphic and Inline graphic are the bandgaps of the alloy and alloy components A and B, respectively. Band bowing parameters b are 0.24 and 0.17 eV for CaMg2xZn2(1−x)N2 and SrxCa1−xZn2N2, respectively.