Abstract
A novel quaternary selenide (Na0.60Ba0.70)Ga2Se4 (1) obtained by a high-temperature method crystallizes in the non-centrosymmetric space group I4cm, and its structure features {[GaSe2]-}∞ chains. It exhibits phase-matchable second-harmonic generation responses with the largest intensity of 0.3 times that of AgGaS2, and its powder sample has a laser-induced damage threshold of ∼2.4 times that of AgGaS2. Discussion about its relationship with other highly related structures are addressed as well. Theoretical calculations are performed to analyze its electronic structure and optical properties.
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