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Infrared nonlinear optical (IR NLO) materials with excellent performances are particularly important in laser technology. However, to design and synthesize an efficient IR NLO material with a balance between the optical band gap and the NLO coefficient is still a huge challenge. With this in mind, four new IR NLO materials Na2BaSnS4, Na2BaSnSe4, Na2BaGeS4, and Na2BaGeSe4 were successfully designed...
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