K2CdGe3S8: A New Infrared Nonlinear Optical Sulfide

被引：4
作者：
Wu, Zi-Xuan [1 ,2 ]
Chen, Wen-Fa [1 ,2 ]
Liu, Bin-Wen [1 ]
Jiang, Xiao-Ming [1 ]
Guo, Guo-Cong [1 ]
机构：
[1] Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Peoples R China
[2] Univ Chinese Acad Sci, Beijing 100190, Peoples R China
来源：
SYMMETRY-BASEL | 2023年 / 15卷 / 01期
基金：
中国国家自然科学基金;
关键词：
nonlinear optical material; metal chalcogenide; second-harmonic generation; crystal structure; density functional theory; METAL TIN SULFIDES; BAND-GAP; 2ND-HARMONIC GENERATION; DAMAGE; GE; SEMICONDUCTORS; Q=S; RB; CONSTANT; SE;
D O I：
10.3390/sym15010236
中图分类号：
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号：
07 ; 0710 ; 09 ;
摘要：
A quaternary metal chalcogenide, namely K2CdGe3S8 (I), is obtained through a high-temperature solid-state approach. Compound I crystallizes with the non-centrosymmetric space group P2(1)2(1)2(1). It features a 2D layer structure with [CdGe3S8] layers consisting of tetrahedral GeS4 and CdS4 units, and counter K+ embedded between the layers. The compound exhibits a powder second-harmonic generation (SHG) response of similar to 0.1 times that of KH2PO4 (KDP) with phase-matchable character at the laser wavelength of 1064 nm. Remarkably, it has a wide band gap (3.20 eV), which corresponds to a favorable high laser-induced damage threshold of 6.7 times that of AgGaS2. In addition, the calculated birefringence (Delta n) is 0.039 at the wavelength of 1064 nm, which satisfies the Delta n criteria for a promising infrared NLO material.
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页数：11
相关论文
共 52 条
[1]  
[Anonymous], 2019, CrysAlisPro Software system
[2]   Phonons and related crystal properties from density-functional perturbation theory [J].
Baroni, S ;
de Gironcoli, S ;
Dal Corso, A ;
Giannozzi, P .
REVIEWS OF MODERN PHYSICS, 2001, 73 (02) :515-562
[3]   Soluble Semiconductors AAsSe2 (A = Li, Na) with a Direct-Band-Gap and Strong Second Harmonic Generation: A Combined Experimental and Theoretical Study [J].
Bera, Tarun K. ;
Jang, Joon I. ;
Song, Jung-Hwan ;
Malliakas, Christos D. ;
Freeman, Arthur J. ;
Ketterson, John B. ;
Kanatzidis, Mercouri G. .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2010, 132 (10) :3484-3495
[4]   All-Inorganic Open-Framework Chalcogenides, A3Ga5S9•xH2O (A = Rb and Cs), Exhibiting Ultrafast Uranyl Remediation and Illustrating a Novel Post-Synthetic Preparation of Open-Framework Oxychalcogenides [J].
Berseneva, Anna A. ;
Aziziha, Mina ;
Schorne-Pinto, Juliano ;
Besmann, Theodore M. ;
zur Loye, Hans-Conrad .
CHEMISTRY OF MATERIALS, 2022, 34 (18) :8366-8378
[5]   LINEAR AND NONLINEAR OPTICAL PROPERTIES OF ZNGEP2 AND CDSE [J].
BOYD, GD ;
BUEHLER, E ;
STORZ, FG .
APPLIED PHYSICS LETTERS, 1971, 18 (07) :301-&
[6]   MID-IR ABSORPTION IN AGGASE2 OPTICAL PARAMETRIC OSCILLATOR CRYSTALS [J].
CATELLA, GC ;
SHIOZAWA, LR ;
HIETANEN, JR ;
ECKARDT, RC ;
ROUTE, RK ;
FEIGELSON, RS ;
COOPER, DG ;
MARQUARDT, CL .
APPLIED OPTICS, 1993, 32 (21) :3948-3951
[7]   AZn4Ga5Se12 (A = K, Rb, or Cs): Infrared Nonlinear Optical Materials with Simultaneous Large Second Harmonic Generation Responses and High Laser-Induced Damage Thresholds [J].
Chen, Man-Man ;
Zhou, Sheng-Hua ;
Wei, Wenbo ;
Wu, Xin-Tao ;
Lin, Hua ;
Zhu, Qi-Long .
INORGANIC CHEMISTRY, 2021, 60 (13) :10038-10046
[8]   Intriguing Structural Transition Inducing Variable Birefringences in ABa2MS4Cl (A = Rb, Cs; M = Ge, Sn) [J].
Chu, Yu ;
Wu, Kui ;
Su, Xin ;
Han, Jian ;
Yang, Zhihua ;
Pan, Shilie .
INORGANIC CHEMISTRY, 2018, 57 (18) :11310-11313
[9]   Noncentrosymmetric chalcohalide NaBa4Ge3S10Cl with large band gap and IR NLO response [J].
Feng, Kai ;
Kang, Lei ;
Lin, Zheshuai ;
Yao, Jiyong ;
Wu, Yicheng .
JOURNAL OF MATERIALS CHEMISTRY C, 2014, 2 (23) :4590-4596
[10]   Long-wavelength behavior of the exchange-correlation kernel in the Kohn-Sham theory of periodic systems [J].
Ghosez, P ;
Gonze, X ;
Godby, RW .
PHYSICAL REVIEW B, 1997, 56 (20) :12811-12817
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