Rational design via dual-site aliovalent substitution leads to an outstanding IR nonlinear optical material with well-balanced comprehensive properties

A new promising IR-NLO material SrCdSiS 4 with a 2D layered structure has been designed via a dual-site isovalent substitution strategy. Remarkably, it is the first report on an alkaline-earth metal-based IR-NLO material that breaks through the wall of E g > 3.5 eV and d eff > 1 × AgGaS 2 .