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)
2016
Source PublicationPHYSICAL CHEMISTRY CHEMICAL PHYSICS
ISSN1463-9076
Volume18Issue:6Pages:4362-4369
Abstract

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
Indexed BySCI
WOS IDWOS:000369509100012
Citation statistics
Cited Times:9[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.xjipc.cas.cn/handle/365002/4341
Collection中国科学院特殊环境功能材料与器件重点试验室
材料物理与化学研究室
Corresponding AuthorZhang, FF (Zhang, Fangfang); Yang, ZH (Yang, Zhihua); Pan, SL (Pan, Shilie)
Affiliation1.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
2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
3.Xinjiang Prod Qual Supervis & Inspect Inst Techno, Urumqi 830011, Peoples R China
Recommended Citation
GB/T 7714
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 .,...&Pan, SL .(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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