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Issue 30, 2014
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Ag3Ga3SiSe8: a new infrared nonlinear optical material with a chalcopyrite structure

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Abstract

An infrared (IR) nonlinear optical (NLO) material, Ag3Ga3SiSe8, has been synthesized for the first time. It crystallizes in the tetragonal chalcopyrite AgGaSe2 structure type and the substitution of Ga3+ with Si4+ generates an equal amount of vacancies at the Ag+ position. Ag3Ga3SiSe8 is a congruent melting compound with a melting temperature of 784 °C. The second-harmonic generation (SHG) effect of Ag3Ga3SiSe8 is similar to that of AgGaSe2, as confirmed by the first-principles studies. Moreover, the diffuse reflectance spectra reveal that the energy band gap of Ag3Ga3SiSe is 2.30 eV, 0.44 eV larger compared with AgGaSe2 (1.86 eV). The birefringence of Ag3Ga3SiSe8 is predicted to be above 0.1 at the wavelength of 1 μm, significantly larger than that of AgGaSe2n ~ 0.02). Our results indicate that Ag3Ga3SiSe8 may possess improved optical properties compared with AgGaSe2 and has a promising application as a good IR NLO material.

Graphical abstract: Ag3Ga3SiSe8: a new infrared nonlinear optical material with a chalcopyrite structure

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Publication details

The article was received on 18 Apr 2014, accepted on 30 May 2014 and first published on 04 Jun 2014


Article type: Communication
DOI: 10.1039/C4CE00817K
Citation: CrystEngComm, 2014,16, 6836-6840
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    Ag3Ga3SiSe8: a new infrared nonlinear optical material with a chalcopyrite structure

    D. Mei, P. Gong, Z. Lin, K. Feng, J. Yao, F. Huang and Y. Wu, CrystEngComm, 2014, 16, 6836
    DOI: 10.1039/C4CE00817K

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