K2 ZnSn3 Se8 : A Non-Centrosymmetric Zinc Selenidostannate(IV) Featuring Interesting Covalently Bonded [ZnSn3 Se8 ]2- Layer and Exhibiting Intriguing Second Harmonic Generation Activity

Molin Zhou; Xingxing Jiang; Yi Yang; Yangwu Guo; Zheshuai Lin; JJiyong Yao; Yicheng Wu

doi:10.1002/asia.201700426

K₂ ZnSn₃ Se₈ : A Non-Centrosymmetric Zinc Selenidostannate(IV) Featuring Interesting Covalently Bonded [ZnSn₃ Se₈ ]^2- Layer and Exhibiting Intriguing Second Harmonic Generation Activity

Chem Asian J. 2017 Jun 19;12(12):1282-1285. doi: 10.1002/asia.201700426. Epub 2017 May 17.

Authors

Molin Zhou^{1

2}, Xingxing Jiang¹, Yi Yang^{1

2}, Yangwu Guo^{1

2}, Zheshuai Lin¹, JJiyong Yao¹, Yicheng Wu¹

Affiliations

¹ Beijing Center for Crystal R&D, Key Laboratory of Functional Crystals and Laser Technology of Chinese Academy of Sciences, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing, 100190, P.R. China.
² University of Chinese Academy of Sciences, Beijing, 100049, P.R. China.

PMID: 28436178
DOI: 10.1002/asia.201700426

Abstract

Non-centrosymmetric zinc selenidostannate(IV) K₂ ZnSn₃ Se₈ was synthesized. It features interesting covalently bonded [ZnSn₃ Se₈ ]^2- layers with K⁺ cations filling in the interlayer voids. The phonon spectrum was calculated to clarify its structural stability. Based on the X-ray diffraction data along with the Raman spectrum, the major bonding features of the title compound were identified. According to the UV/vis-NIR spectroscopy, K₂ ZnSn₃ Se₈ possesses a typical direct band gap of 2.10 eV, which is in good agreement with the band structure calculations. Moreover, our experimental measurements and detailed theoretical calculations reveal that K₂ ZnSn₃ Se₈ is a new phase-matchable nonlinear optical material with a powder second harmonic generation (SHG) signal about 0.6 times of that of AgGaS₂ .

Keywords: electronic structure; second harmonic generation properties; structural stability; two-dimensional-like structures.