Li7(TeO3)3F: A Lithium Fluoride Tellurite with Large Second Harmonic Generation Responses and a Short Ultraviolet Cutoff Edge

被引：37

作者：

Feng, Jiang-He ^{[1
,3
]}

Hu, Chun-Li ^{[1
]}

Xia, Hou-Ping ^{[2
]}

Kong, Fang ^{[1
]}

Mao, Jiang-Gao ^{[1
]}

机构：

[1] Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Fujian, Peoples R China

[2] Baoji Univ Arts & Sci, Coll Phys & Optoelect Technol, Baoji 721016, Shanxi, Peoples R China

[3] Chinese Acad Sci, Grad Sch, Beijing 100039, Peoples R China

来源：

INORGANIC CHEMISTRY | 2017年 / 56卷 / 23期

基金：

中国国家自然科学基金;

关键词：

NONLINEAR-OPTICAL MATERIALS; ANISOTROPIC THERMAL-PROPERTIES; CRYSTAL-STRUCTURE; ELECTRONIC-STRUCTURE; QUATERNARY TELLURITES; ALKALINE-EARTH; POLAR MATERIAL; MID-IR; SHG; RB;

D O I：

10.1021/acs.inorgchem.7b02670

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Here, the combination of the strong electropositive lithium and the most electronegative fluorine with the TeO3 group afforded the first lithium fluoride tellurite, namely, Li-7(TeO3)(3)F (P6(3)), which was synthesized by solid-state reactions. Its structure features a novel three-dimensional anionic framework of [Li7O9F](12-) composed of LiO3F and LiO4 tetrahedra with one-dimensional hexagonal tunnels of 12-membered rings along the c-axis, filled by the "isolated" psi-TeO3 tetrahedra. Notably, this compound displays the largest band gap of 4.75 eV among all of the non-centrosymmetric metal-tellurites reported so far, as well as strong second harmonic generation (SHG) responses (3 x KH2PO4 @1064 nm, 0.2 x beta-BaB2O4 @532 nm) and a large laser damage threshold (73 x AgGaS2). Furthermore, theoretical calculations reveal that the LiO4 and LiO3F tetrahedra also contribute significantly to the SHG response (similar to 30%).

引用

页码：14697 / 14705

页数：9

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