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...

Full description

Saved in:
Bibliographic Details
Published inChemical communications (Cambridge, England) Vol. 55; no. 96; pp. 1451 - 14513
Main Authors Cao, Wangzhu, Mei, Dajiang, Yang, Yi, Wu, Yuanwang, Zhang, Lingyun, Wu, Yuandong, He, Xiao, Lin, Zheshuai, Huang, Fuqiang
Format Journal Article
LanguageEnglish
Published 28.11.2019
Online AccessGet full text

Cover

More Information
Summary: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 ).
Bibliography: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
ISSN:1359-7345
1364-548X
DOI:10.1039/c9cc07288h