Li3AlSiO5: the first aluminosilicate as a potential deep-ultraviolet nonlinear optical crystal with the quaternary diamond-like structure
Chen, XL (Chen, Xinglong); Zhang, FF (Zhang, Fangfang); Liu, LL (Liu, Lili); Lei, BH (Lei, Bing-Hua); Dong, XY (Dong, Xiaoyu); Yang, ZH (Yang, Zhihua); Lia, HY (Lia, Hongyi); Pan, SL (Pan, Shilie); Zhang, FF
2016
发表期刊PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷号18期号:6页码:4362-4369
摘要Deep-ultraviolet (deep-UV) nonlinear optical (NLO) crystals play a crucial role in modern laser frequency conversion technology. Traditionally, the exploration of deep-UV NLO crystals is mainly focused on borates, while, the use of phosphates recently opened up a novel and promising non-boron pathway for designing new deep-UV NLO crystals. Extending this pathway to aluminosilicates led to the discovery of Li3AlSiO5, the first NLO crystal in this system. It crystallizes in the polar space group Pna2(1) (no. 33) with a quaternary diamond-like structure composed of LiO4, AlO4 and SiO4 tetrahedral groups. The compound exhibits a deep-UV cut-off edge below 190 nm and is phase matchable with moderate powder second harmonic generation (SHG) intensity (0.8KH(2)PO(4)). The band gap calculated using PBE0 is 7.29 eV, indicating that the cut-off edge of the Li3AlSiO5 crystal can be down to 170 nm. In addition, the compound is nonhygroscopic and thermally stable up to similar to 1472 K. These results suggest that Li3AlSiO5 is a potential deep-UV NLO crystal. First-principles studies were performed to elucidate the structure-property relationship of Li3AlSiO5.
DOI10.1039/c5cp06884c
收录类别SCI
WOS记录号WOS:000369509100012
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被引频次:7[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.xjipc.cas.cn/handle/365002/4341
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Zhang, FF
作者单位Chinese Acad Sci, Key Lab Funct Mat & Devices Special Environments, Xinjiang Tech Inst Phys & Chem, Xinjiang Key Lab Elect Informat Mat & Devices, 40-1 South Beijing Rd, Urumqi 830011, Peoples R China;Univ Chinese Acad Sci, Beijing 100049, Peoples R China;Xinjiang Prod Qual Supervis & Inspect Inst Techno, Urumqi 830011, Peoples R China
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Chen, XL ,Zhang, FF ,Liu, LL ,et al. Li3AlSiO5: the first aluminosilicate as a potential deep-ultraviolet nonlinear optical crystal with the quaternary diamond-like structure[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2016,18(6):4362-4369.
APA Chen, XL .,Zhang, FF .,Liu, LL .,Lei, BH .,Dong, XY .,...&Zhang, FF.(2016).Li3AlSiO5: the first aluminosilicate as a potential deep-ultraviolet nonlinear optical crystal with the quaternary diamond-like structure.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,18(6),4362-4369.
MLA Chen, XL ,et al."Li3AlSiO5: the first aluminosilicate as a potential deep-ultraviolet nonlinear optical crystal with the quaternary diamond-like structure".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.6(2016):4362-4369.
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