The linear and nonlinear optical response of CsGeX3 (X = Cl, Br, and I): The finite field and first-principles investigation

被引：20

作者：

Zhang, Qiaoqiao ^{[1
]}

Mushahali, Hahaer ^{[1
]}

Duan, Haiming ^{[1
]}

Lee, Ming-Hsien ^{[2
]}

Jing, Qun ^{[1
]}

机构：

[1] Xinjiang Univ, Sch Phys Sci & Technol, 666 Shengli Rd, Urumqi 830046, Peoples R China

[2] Tamkang Univ, Dept Phys, New Taipei 25137, Taiwan

来源：

OPTIK | 2019年 / 179卷

基金：

中国国家自然科学基金;

关键词：

IR NLO compounds; Finite field method; Birefringence; Born effective charges; PHASE-MATCHING CHARACTERISTICS; 2ND-HARMONIC GENERATION; KBBF-FAMILY; BERYLLIUM-FREE; SHG ENHANCEMENT; CRYSTAL-GROWTH; NLO CRYSTALS; LONE-PAIRS; RB; BIREFRINGENCE;

D O I：

10.1016/j.ijleo.2018.10.159

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

In this paper, the linear and second order nonlinear optical properties of CsGeX3 (X = Cl, Br, and I) compounds have been investigated using the finite field method combined with the density functional investigation. The obtained results are in good agreement with the experimental values. The electron density distribution nearby the fermi level is the lobe-like lone pair electrons which make the germanium-halogen polyhedron distorted. The atomic contribution to the birefringence and SHG response is analyzed using the Born effective charges, the variation of the atomic charges, and the SHG density method. The results show that the germanium and halogen atoms give main contribution to the optical anisotropic birefringence and the SHG response.

引用

页码：89 / 98

页数：10

共 27 条

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