Synthesis, Crystal Structure, and Optical Properties of Noncentrosymmetric Na2ZnSnS4

doi:10.1021/acs.inorgchem.8b01025

	Synthesis, Crystal Structure, and Optical Properties of Noncentrosymmetric Na2ZnSnS4
	He, Jianqiao 1; Guo, Yangwu 1,2; Huang, Wenjuan 3; Zhang, Xian 4,5; Yao, Jiyong 2; Zhai, Tianyou 3; Huang, Fuqiang 4,5
刊名	INORGANIC CHEMISTRY
	2018
卷号	57 期号:16 页码:9918
ISSN号	0020-1669
DOI	10.1021/acs.inorgchem.8b01025
英文摘要	A new chalcogenide Na2ZnSnS4 has been successfully synthesized by using Na2S2 as reactive flux. Na2ZnSnS4 crystallizes in the tetragonal system with space group of I (4) over bar. Its cell parameters are a = 6.4835(6) angstrom and c = 9.134(1) angstrom. The structure is a derivative of AgGaS2, in which the Ag+ ions are replaced by Na+ ions and the Ga3+ ions are replaced by Zn2+ and Sn' ions. All three cations are in seriously distorted tetrahedral geometry with a distortion factor (eta = c/a) of 1.4. Optical measurements show that the Na2ZnSnS4 powder sample has a large transparent range from 0.8 to 25 ym and a wide band gap of 3.1 eV. It exhibits large second harmonic generation intensity of 0.9 x AgGaS2 in the grain size range from 41 to 74 ym. First-principles calculation results reveal that the valence band maximum and conduction band minimum are mainly composed of S 3p, Zn 3d orbitals and Sn Ss, S 3p orbitals, respectively.
学科主题	Chemistry, Inorganic & Nuclear
出版者	AMER CHEMICAL SOC
WOS记录号	WOS:000442489100038
资助机构	This research project was financially supported by the National Key Research and Development Program (Grant 2016YFB0901600), CAS Center for Excellence in Superconducting Electronics, the Key Research Program of Chinese Academy of Sciences (Grants QYZDJ-SSW-JSC013 and KGZD-EW-T06), and Science and Technology Commission of Shanghai (Grants 16JC1401700 and 16ZR1440500). ; This research project was financially supported by the National Key Research and Development Program (Grant 2016YFB0901600), CAS Center for Excellence in Superconducting Electronics, the Key Research Program of Chinese Academy of Sciences (Grants QYZDJ-SSW-JSC013 and KGZD-EW-T06), and Science and Technology Commission of Shanghai (Grants 16JC1401700 and 16ZR1440500).
内容类型	期刊论文
源URL	[http://ir.sic.ac.cn/handle/331005/24723]
专题	中国科学院上海硅酸盐研究所
作者单位	1.Chinese Acad Sci, Shanghai Inst Ceram, State Key Lab High Performance Ceram & Superfine, Shanghai 200050, Peoples R China 2.Univ Chinese Acad Sci, 19 Yuquan Rd, Beijing 100049, Peoples R China 3.Chinese Acad Sci, Tech Inst Phys & Chem, Ctr Crystal Res & Dev, Beijing 100190, Peoples R China 4.HUST, Sch Mat Sci & Engn, State Key Lab Mat Proc & & Mould Technol, Wuhan 430074, Hubei, Peoples R China 5.Peking Univ, Coll Chem & Mol Engn, Bening Natl Lab Mol Sci, 202 Chengfu Rd, Beijing 100871, Peoples R China 6.Peking Univ, Coll Chem & Mol Engn, State Key Lab Rare Earth Mat Chem & Applicat, 202 Chengfu Rd, Beijing 100871, Peoples R China
推荐引用方式 GB/T 7714	He, Jianqiao,Guo, Yangwu,Huang, Wenjuan,et al. Synthesis, Crystal Structure, and Optical Properties of Noncentrosymmetric Na2ZnSnS4[J]. INORGANIC CHEMISTRY,2018,57(16):9918, 9924.
APA	He, Jianqiao.,Guo, Yangwu.,Huang, Wenjuan.,Zhang, Xian.,Yao, Jiyong.,...&Huang, Fuqiang.(2018).Synthesis, Crystal Structure, and Optical Properties of Noncentrosymmetric Na2ZnSnS4.INORGANIC CHEMISTRY,57(16),9918.
MLA	He, Jianqiao,et al."Synthesis, Crystal Structure, and Optical Properties of Noncentrosymmetric Na2ZnSnS4".INORGANIC CHEMISTRY 57.16(2018):9918.