The must-have and nice-to-have experimental and computational requirements for functional frequency doubling deep-UV crystals

Inorganic materials exhibiting second-harmonic generation (SHG) are used to generate coherent radiation at wavelengths where solid-state laser sources are not available; that is, the deep UV (DUV) below 200 nm. Here, we describe the structure and optical property requirements that should be assessed to conclusively demonstrate the discovery of a functional DUV material for nonlinear optical (NLO) applications.