期刊
CHEMICAL COMMUNICATIONS
卷 55, 期 91, 页码 13701-13704出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c9cc07112a
关键词
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资金
- NSF of China [21771159]
- Qing Lan project from Yangzhou University
Partial substitution of Ba by K in the Ba sites of BaGa2Se4 creates a new selenide (K0.38Ba0.81)Ga2Se4 (1), which is crystallized in the noncentrosymmetric space group I4cm, different from the centric structures of all the ternary M-I-M-2(III)-Q(4) (M-II = divalent Sr, Ba, Pb, Sn, Eu; M-III = trivalent Ga, In; Q = S and Se) chalcogenides. Its 1D structure features {[GaSe2](-)}(infinity) chains, and K/Ba occupying the interchain cavities as the counter cations. Its powder sample demonstrates a second-harmonic generation intensity which is around 0.9 times that of AgGaS2 at 2.1 mu m, and a laser-induced damage threshold which is 13.4 times that of AgGaS2. DFT calculations on its electronic structure and optical properties were also performed.
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