Analysis and prediction of mid-IR nonlinear optical metal sulfides with diamond-like structures

Liang Fei; Kang Lei; Lin Zheshuai; Wu Yicheng; Chen Chuangtian

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Analysis and prediction of mid-IR nonlinear optical metal sulfides with diamond-like structures

机译：类金刚石结构的中红外非线性光学金属硫化物的分析与预测

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Metal sulfides with diamond-like (DL) structures are systematically investigated in this study for nonlinear optical (NLO) applications in the mid-infrared (mid-IR) spectral region. All the selected materials are characterized by a 3D framework connected by various sulfide tetrahedral units, such as [PS4], [SiS4], [GeS4], [GaS4], [InS4], [CdS4], [ZnS4], [LiS4], and [AgS4]. The linear and nonlinear optical properties of these materials are analyzed on the basis of first-principles calculations. It is concluded that it is relatively easy to achieve good balance between the bandgap and the NLO effect. Additionally, moderate birefringence Delta n (similar to 0.03-0.10) is required for practical mid-IR NLO applications. In particular, several metal sulfides with normal DL and defect DL structures, exhibiting superior mid-IR NLO properties, are highlighted. These provide an instructive guide for the design and discovery of new materials with good mid-IR NLO performance. (C) 2016 Elsevier B.V. All rights reserved.

机译：在这项研究中，系统地研究了具有类金刚石（DL）结构的金属硫化物，以用于中红外（mid-IR）光谱区域中的非线性光学（NLO）应用。所有选定的材料均具有通过各种硫化物四面体单元（例如[PS4]，[SiS4]，[GeS4]，[GaS4]，[InS4]，[CdS4]，[ZnS4]，[LiS4]连接的3D框架来表征。和[AgS4]。在第一性原理计算的基础上分析了这些材料的线性和非线性光学性质。结论是，在带隙和NLO效应之间取得良好的平衡是相对容易的。此外，对于实际的中红外NLO应用，需要适度的双折射Delta n（类似于0.03-0.10）。特别是，突出显示了几种具有正常DL和缺陷DL结构的金属硫化物，它们具有优异的中红外NLO性能。这些为具有良好中红外NLO性能的新材料的设计和发现提供了指导性指南。（C）2016 Elsevier B.V.保留所有权利。

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来源
《Coordination chemistry reviews》 |2017年第2期|57-70|共14页
作者
Liang Fei; Kang Lei; Lin Zheshuai; Wu Yicheng; Chen Chuangtian;
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作者单位

Chinese Acad Sci, Tech Inst Phys & Chem, Key Lab Funct Crystals & Laser Technol, Ctr Crystal R&D, Beijing 100190, Peoples R China|Univ Chinese Acad Sci, Beijing 100190, Peoples R China;

Chinese Acad Sci, Tech Inst Phys & Chem, Key Lab Funct Crystals & Laser Technol, Ctr Crystal R&D, Beijing 100190, Peoples R China|Univ Chinese Acad Sci, Beijing 100190, Peoples R China;

Chinese Acad Sci, Tech Inst Phys & Chem, Key Lab Funct Crystals & Laser Technol, Ctr Crystal R&D, Beijing 100190, Peoples R China|Univ Chinese Acad Sci, Beijing 100190, Peoples R China;

Chinese Acad Sci, Tech Inst Phys & Chem, Key Lab Funct Crystals & Laser Technol, Ctr Crystal R&D, Beijing 100190, Peoples R China;

Chinese Acad Sci, Tech Inst Phys & Chem, Key Lab Funct Crystals & Laser Technol, Ctr Crystal R&D, Beijing 100190, Peoples R China;

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收录信息美国《科学引文索引》(SCI);美国《生物学医学文摘》(MEDLINE);
原文格式 PDF
正文语种 eng
中图分类
关键词
Review; Diamond-like; Sulfide; Mid-IR; Nonlinear optics;

机译：综述;类金刚石;硫化物;中红外;非线性光学;

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Analysis and prediction of mid-IR nonlinear optical metal sulfides with diamond-like structures

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