NDLI: An investigation of new infrared nonlinear optical material: $BaCdSnSe_{4},$ and three new related centrosymmetric compounds: $Ba_{2}SnSe_{4},$ $Mg_{2}GeSe_{4},$ and $Ba_{2}Ge_{2}S

Content Provider	World Health Organization (WHO)-Global Index Medicus
Author	Wu, Kui Yang, Zhihua Pan, Shilie Su, Xin
Description	Author Affiliation: Wu K ( Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics & Chemistry of CAS, 40-1 South Beijing Road, Urumqi 830011, China. slpan@ms.xjb.ac.cn.); Su X ( Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics & Chemistry of CAS, 40-1 South Beijing Road, Urumqi 830011, China. slpan@ms.xjb.ac.cn and Universit); Yang Z ( Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics & Chemistry of CAS, 40-1 South Beijing Road, Urumqi 830011, China. slpan@ms.xjb.ac.cn.); Pan S ( Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics & Chemistry of CAS, 40-1 South Beijing Road, Urumqi 830011, China. slpan@ms.xjb.ac.cn.)
Abstract	A series of new metal chalcongenides, $BaCdSnSe_{4}$ (1), $Ba_{2}SnSe_{4}$ (2), $Mg_{2}GeSe_{4}$ (3), and $Ba_{2}Ge_{2}S_{6}$ (4), were successfully synthesized for the first time. Among them, compounds 2 and 4 were prepared by a molten flux method with Zn as the flux. In their structures, all of them have $MQ_{4}$ (M = Sn, Ge; Q = S, Se) units. For compound 1, the $CdSe_{4}$ and $SnSe_{4}$ groups are connected to form $CdSnSe_{6}$ layers and these layers are linked together by the Ba atoms. Compounds 2 and 3 are composed of isolated $MSe_{4}$ (M = Sn, Ge) units and charge-balanced by the Ba or Mg atoms, respectively, while compound 4 has infinite $_{∞}(GeS_{3})_{n}$ chains, which is different from the structures of the other three compounds that only have isolated $MSe_{4}$ (M = Sn, Ge) units. The measured IR and Raman data of the title compounds show wide infrared transmission ranges. The experimental band gaps of compounds 1, 2, and 3 were determined to be 1.79, 1.90, and 2.02 eV, respectively. Band structures were also calculated and indicate that their tetrahedral units, such as $[SnSe_{4}],$ $[GeS_{4}]$ and $[GeSe_{4}],$ determine the energy band gaps of the title compounds, respectively. As for compound 1, based on fundamental light at 2.09 μm, the experimental second harmonic generation (SHG) response is about 1.6 times that of the benchmark $AgGaS_{2},$ which is also consistent with the calculated value. Based on the above results, compound 1 has promising applications in the IR field as a NLO material.
ISSN	14779226
Issue Number	46
Journal	Dalton Trans.
Volume Number	44
e-ISSN	13645447
Language	English
Publisher	Royal Society of Chemistry
Publisher Date	2015-12-14
Publisher Place	Great Britain (UK)
Access Restriction	Subscribed
Subject Keyword	Chemistry
Content Type	Text
Resource Type	Article
Subject	Inorganic Chemistry

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