From CuFeS to BaCuFeGeS: rational band gap engineering achieves large second-harmonic-generation together with high laser damage threshold
A new germanium-based sulfide, Ba 6 Cu 2 FeGe 4 S 16 , achieves a band-gap broadening of more than 1 eV relative to CuFeS 2 . Remarkably, Ba 6 Cu 2 FeGe 4 S 16 exhibits excellent comprehensive NLO performance (SHG, 1.5 × AgGaSe 2 ; LDT, 2 × AgGaSe 2 ), satisfying the essential requirements of mid-IR...
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| Published in | Chemical communications (Cambridge, England) Vol. 55; no. 96; pp. 1451 - 14513 |
|---|---|
| Main Authors | , , , , , , , , |
| Format | Journal Article |
| Language | English |
| Published |
28.11.2019
|
| Online Access | Get full text |
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| Abstract | A new germanium-based sulfide, Ba
6
Cu
2
FeGe
4
S
16
, achieves a band-gap broadening of more than 1 eV relative to CuFeS
2
. Remarkably, Ba
6
Cu
2
FeGe
4
S
16
exhibits excellent comprehensive NLO performance (SHG, 1.5 × AgGaSe
2
; LDT, 2 × AgGaSe
2
), satisfying the essential requirements of mid-IR NLO candidates.
From CuFeS
2
, the introduction of Ge leads to an increase in band gap. The ordered arrangement of NLO active units [GeS
4
] results in a strong SHG response. Finally, Ba
6
Cu
2
FeGe
4
S
16
exhibits good NLO performance (SHG, 1.5 × AgGaSe
2
; LDT, 2 × AgGaSe
2
). |
|---|---|
| AbstractList | A new germanium-based sulfide, Ba
6
Cu
2
FeGe
4
S
16
, achieves a band-gap broadening of more than 1 eV relative to CuFeS
2
. Remarkably, Ba
6
Cu
2
FeGe
4
S
16
exhibits excellent comprehensive NLO performance (SHG, 1.5 × AgGaSe
2
; LDT, 2 × AgGaSe
2
), satisfying the essential requirements of mid-IR NLO candidates.
From CuFeS
2
, the introduction of Ge leads to an increase in band gap. The ordered arrangement of NLO active units [GeS
4
] results in a strong SHG response. Finally, Ba
6
Cu
2
FeGe
4
S
16
exhibits good NLO performance (SHG, 1.5 × AgGaSe
2
; LDT, 2 × AgGaSe
2
). |
| Author | Wu, Yuanwang Lin, Zheshuai Huang, Fuqiang Cao, Wangzhu Wu, Yuandong He, Xiao Zhang, Lingyun Mei, Dajiang Yang, Yi |
| AuthorAffiliation | Chinese Academy of Sciences NYU-ECNU Center for Computational Chemistry at NYU Shanghai East China University of Science and Technology East China Normal University State Key Laboratory of Bioreactor Engineering Shanghai University of Engineering Science University of Chinese Academy of Sciences Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development Department of Bioengineering School of Chemistry and Molecular Engineering Shanghai Institute of Ceramics College of Chemistry and Chemical Engineering Technical Institute of Physics and Chemistry State Key Laboratory of High Performance Ceramics and Superfine Microstructure |
| AuthorAffiliation_xml | – name: State Key Laboratory of High Performance Ceramics and Superfine Microstructure – name: Chinese Academy of Sciences – name: NYU-ECNU Center for Computational Chemistry at NYU Shanghai – name: State Key Laboratory of Bioreactor Engineering – name: Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development – name: University of Chinese Academy of Sciences – name: Shanghai Institute of Ceramics – name: Shanghai University of Engineering Science – name: Department of Bioengineering – name: East China Normal University – name: Technical Institute of Physics and Chemistry – name: East China University of Science and Technology – name: College of Chemistry and Chemical Engineering – name: School of Chemistry and Molecular Engineering |
| Author_xml | – sequence: 1 givenname: Wangzhu surname: Cao fullname: Cao, Wangzhu – sequence: 2 givenname: Dajiang surname: Mei fullname: Mei, Dajiang – sequence: 3 givenname: Yi surname: Yang fullname: Yang, Yi – sequence: 4 givenname: Yuanwang surname: Wu fullname: Wu, Yuanwang – sequence: 5 givenname: Lingyun surname: Zhang fullname: Zhang, Lingyun – sequence: 6 givenname: Yuandong surname: Wu fullname: Wu, Yuandong – sequence: 7 givenname: Xiao surname: He fullname: He, Xiao – sequence: 8 givenname: Zheshuai surname: Lin fullname: Lin, Zheshuai – sequence: 9 givenname: Fuqiang surname: Huang fullname: Huang, Fuqiang |
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| ContentType | Journal Article |
| DOI | 10.1039/c9cc07288h |
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| Notes | have been deposited at the Cambridge crystallographic data centre as CCDC For ESI and crystallographic data in CIF or other electronic format see DOI Cu 2 S 10.1039/c9cc07288h 4 16 6 1814281 FeGe Electronic supplementary information (ESI) available: Experimental sections and characterization data. The crystallographic data for Ba |
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| PublicationDate | 20191128 |
| PublicationDateYYYYMMDD | 2019-11-28 |
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| PublicationTitle | Chemical communications (Cambridge, England) |
| PublicationYear | 2019 |
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| Snippet | A new germanium-based sulfide, Ba
6
Cu
2
FeGe
4
S
16
, achieves a band-gap broadening of more than 1 eV relative to CuFeS
2
. Remarkably, Ba
6
Cu
2
FeGe
4
S
16... |
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| StartPage | 1451 |
| Title | From CuFeS to BaCuFeGeS: rational band gap engineering achieves large second-harmonic-generation together with high laser damage threshold |
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