Controlling the Nonlinear Optical Behavior and Structural Transformation with A-Site Cation in α-AZnPO4 (A = Li, K)

被引：12
|
作者：
He, Xianmen [1 ]
Qi, Lu [1 ]
Zhang, Wenyao [1 ]
Zhang, Ruixin [2 ]
Dong, Xiaoyu [3 ]
Ma, Junhong [1 ]
Abudoureheman, Maierhaba [1 ]
Jing, Qun [2 ]
Chen, Zhaohui [1 ]
机构：
[1] Xinjiang Univ, Sch Chem Engn & Technol, Key Lab Oil & Gas Fine Chem, Minist Educ & Xinjiang Uyghur Autonomous Reg, 777 Huarui Rd, Urumqi 830017, Peoples R China
[2] Xinjiang Univ, Sch Phys Sci & Technol, Xinjiang Key Lab Solid State Phys & Devices, 777 Huarui Rd, Urumqi 830017, Peoples R China
[3] Xinjiang Inst Engn, Dept Chem & Environm Engn, 236 Nanchang Rd, Urumqi 830091, Peoples R China
来源：
SMALL | 2023年 / 19卷 / 18期
基金：
中国国家自然科学基金;
关键词：
A-site cation regulation; nonlinear optical materials; orthophosphates; phase-matchable; second harmonic generation (SHG) responses; BERYLLIUM-FREE; CRYSTAL-STRUCTURE; RB; SUBSTITUTION; ENHANCEMENT; DESIGN; BA; CS;
D O I：
10.1002/smll.202206991
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Regulating the crystal structure by A-site cation substitution is one of the effective methods to explore high-performance nonlinear optical (NLO) materials. Herein, two non-centrosymmetric (NCS) compounds, alpha-MZnPO4 (M = Li, K) with short UV absorption edges 221 and 225 nm, are obtained by performing A-site cation substitution method. It is noteworthy that alpha-LiZnPO4 (alpha-LZPO) achieves >10 times second harmonic generation (SHG) response (2.3 x KDP) enhancement compared with that of alpha-KZnPO4 (alpha-KZPO) (0.2 x KDP), which is the only case among phosphates with different A-site cations. By structural comparison, it is found that the A-site cations play important roles for anion rearrangements, and further the structure features of the two compounds by designing two suppositional crystal models as well as performing other theoretical calculations are analyzed. The study confirms the feasibility to design promising NLO materials with strengthen SHG response and structural stability in orthophosphate system.
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页数：6
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