LiGaGe2Se6: A New IR Nonlinear Optical Material with Low Melting Point

被引：107

作者：

Mei, Dajiang ^{[1
,2
,3
]}

Yin, Wenlong ^{[1
,2
,3
]}

Feng, Kai ^{[1
,2
,3
]}

Lin, Zheshuai ^{[1
,2
]}

Bai, Lei ^{[1
,2
]}

Yao, Jiyong ^{[1
,2
]}

Wu, Yicheng ^{[1
,2
]}

机构：

[1] Chinese Acad Sci, Tech Inst Phys & Chem, Ctr Crystal Res & Dev, Beijing 100190, Peoples R China

[2] Chinese Acad Sci, Tech Inst Phys & Chem, Key Lab Funct Crystals & Laser Technol, Beijing 100190, Peoples R China

[3] Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China

来源：

INORGANIC CHEMISTRY | 2012年 / 51卷 / 02期

基金：

中国国家自然科学基金;

关键词：

STRONG 2ND-HARMONIC GENERATION; BOND-VALENCE PARAMETERS; CRYSTAL-GROWTH; GAP; SE; TE;

D O I：

10.1021/ic202202j

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The new compound LiGaGe2Se6 has been synthesized. It crystallizes in the orthorhombic space group Fdd2 with a = 12.501(3) angstrom, b = 23.683(5) angstrom, c = 7.1196(14) angstrom, and Z = 8. The structure is a three-dimensional framework composed of corner-sharing LiSe4, GaSe4, and GeSe4 tetrahedra. The compound exhibits a powder second harmonic generation signal at 2 mu m that is about half that of the benchmark material AgGaSe2 and possesses a wide band gap of about 2.64(2) eV. LiGaGe2Se6 melts congruently at a rather low temperature of 710 degrees C, which indicates that bulk crystals can be obtained by the Bridgman-Stockbarger technique. According to a first-principles calculation, there is strong hybridization of the 4s and 4p orbitals of Ga, Ge, and Se around the Fermi level. The calculated birefractive index is Delta n = 0.04 for lambda >= 1 mu m, and the calculated major SHG tensor elements are d(15) = 18.6 pm/V and d(33) = 12.8 pm/V. This new material is promising for application in IR nonlinear optics.

引用

页码：1035 / 1040

页数：6

共 37 条

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