Effect of Element Substitution on Structural Transformation and Optical Performances in I(2)BaM(IV)Q(4) (I = Li, Na, Cu, and Ag; M-IV = Si, Ge, and Sn; Q = S and Se)
Nian, LY (Nian, Leyan); Wu, K (Wu, Kui); He, GJ (He, Guijie); Yang, ZH (Yang, Zhihua); Pan, SL (Pan, Shilie); Wu, K; Pan, SL
2018
发表期刊INORGANIC CHEMISTRY
卷号57期号:6页码:3434-3442
摘要

In the exploration of new infrared nonlinear optical (IR NLO) materials, element substitution has been developed as an effective way to adjust the structural features and material performances. A series of new IR NLO materials have been discovered in the I-Ba-M-IV-Q system (I = Li, Na, Cu, and Ag; M-IV = Si, Ge, and Sn; Q = S and Se), and they undergo interesting structural transformation with different element substitution except Li analogues. Herein, we have successfully synthesized three selenides with different space groups (Ag2BaSiSe4: I (4) over bar 2m; Ag2BaGeSe4 and Ag2BaSnSe4: I222) in the above system and studied their properties through experimental and theoretical methods. Remarkably, the detailed analysis on the structural changes and properties comparison was also systematically investigated in the I-Ba-M-IV-Q system and the results indicate that the distortion degrees of different IQ(4) tetrahedra play the critical role to cause the structural transformation with the M or Q elements substitution. More importantly, we have also found that the structural changes have the close relationship with the distance d(I-I) between adjacent I cations in the I2BaSnSe4 system, which makes the four-membered rings formed by edge-sharing BaSe8 units change from the square to rhombus with the increase of d(I-I). The properties comparisons (band gap and NLO effect) in this system have been also systematically studied.

DOI10.1021/acs.inorgchem.8b00220
收录类别SCI
WOS记录号WOS:000428219500054
引用统计
文献类型期刊论文
条目标识符http://ir.xjipc.cas.cn/handle/365002/5258
专题中国科学院特殊环境功能材料与器件重点试验室
通讯作者Wu, K; Pan, SL
作者单位1.CAS Key Lab Funct Mat & Devices Special Environm, 40-1 South Beijing Rd, Urumqi 830011, Peoples R China
2.Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, 40-1 South Beijing Rd, Urumqi 830011, Peoples R China
3.Xinjiang Key Lab Elect Informat Mat & Devices, 40-1 South Beijing Rd, Urumqi 830011, Peoples R China
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GB/T 7714
Nian, LY ,Wu, K ,He, GJ ,et al. Effect of Element Substitution on Structural Transformation and Optical Performances in I(2)BaM(IV)Q(4) (I = Li, Na, Cu, and Ag; M-IV = Si, Ge, and Sn; Q = S and Se)[J]. INORGANIC CHEMISTRY,2018,57(6):3434-3442.
APA Nian, LY .,Wu, K .,He, GJ .,Yang, ZH .,Pan, SL .,...&Pan, SL.(2018).Effect of Element Substitution on Structural Transformation and Optical Performances in I(2)BaM(IV)Q(4) (I = Li, Na, Cu, and Ag; M-IV = Si, Ge, and Sn; Q = S and Se).INORGANIC CHEMISTRY,57(6),3434-3442.
MLA Nian, LY ,et al."Effect of Element Substitution on Structural Transformation and Optical Performances in I(2)BaM(IV)Q(4) (I = Li, Na, Cu, and Ag; M-IV = Si, Ge, and Sn; Q = S and Se)".INORGANIC CHEMISTRY 57.6(2018):3434-3442.
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