New research from academics from the University of Bath Department of Chemistry has uncovered the mystery of why blue light-emitting diodes (LEDs) are so difficult to make: (1) Calculated spin density resulting from (a) a Mg0Ga-associated hole localized on a neighboring N in the basal plane, (b) a Mg0Ga-associated hole localized on a neighboring axial N, and (c) a N vacancy. Light gray (green) [darker gray (blue)] spheres represent Ga (N) atoms. The darkest gray sphere represents a Mg atom in (a) and (b) (purple) and a vacancy in (c) (orange). Spin densities are indicated by (red) isosurfaces of density (au) 0.05, 0.025, and 0.01 for (a) and (b) and 0.01, 0.005, 0.0025 for (c). (2) Formation energy of VN (black line) and MgGa [light gray (red) line] as a function of Fermi energy above the VBM. Anion-rich conditions are assumed. The position of the conduction band minimum (CBM) is indicated by the broken line. For each value of Fermi energy, only the most stable defect charge state is shown, with a change in slope indicating a change in charge state