ABSTRACT AlN and its alloys are the state‐of‐the‐art materials for deep‐ultraviolet (DUV) light emitting diodes (LEDs). The limited number of materials known acts as a bottleneck for the design of efficient DUV light emitters. Previous computational screening of DUV light emitters has yielded a few promising candidates without rare‐earth elements in light of the fabrication cost. However, it remains unclear if there exist any rare‐earth compounds that may efficiently emit DUV light. Here, based on a high‐throughput computational screening, we identify two promising DUV light emitters (Na 3 TmBr 6 and Na 3 LuBr 6 ) with potentially comparable performance with AlN. Our analysis reveals that hole effective masses in these rare‐earth materials critically depend on the hybridization between rare‐earth 4 f orbitals and anion p orbitals, providing a valuable framework for targeted optimization. This work thus constitutes a basis for developing novel rare‐earth‐based DUV LEDs with expanded material diversity.
Xu et al. (Sat,) studied this question.