Filling the green gap: A first-principles study of the LiMg _1-xZn_xN alloy

The lack of an efficient emitter in the 500-600nm range is limiting the adoption of LEDs for indoor lighting applications. The degradation in performance of current InGaN alloys in this range is due to the large lattice mismatch between InN and GaN and associated alloy phase instabilities. We propose and investigate, using first-principles methods, the electronic structure of an alternative LiMg_1-xZn_xN alloy which has the potential to fill this gap. The small lattice mismatch between LiMgN and LiZnN, along with electronic band gaps spanning the visible range, make them, in principle, ideal candidates for white LED applications.