Na2 Ba[Na2 Sn2 S7 ]: Structural Tolerance Factor-Guided NLO Performance Improvement.
Angew Chem Int Ed Engl
; 62(7): e202218048, 2023 Feb 06.
Article
in En
| MEDLINE
| ID: mdl-36541587
ABSTRACT
The strong mutual coupling of and even the opposite change in the key parameters, such as the band gap (Eg ) and second-order harmonic generation (SHG), leads to the extreme scarcity in high-performance IR nonlinear optical (NLO) chalcogenides. Herein, we report 8 new sulfides, Na2 Ba[(Agx Na1-x )2 Sn2 S7 ] (1, x=0; 1â
series, x=0.1-0.6; Na2 Ba[(Li0.58 Na0.42 )2 Sn2 S7 ], 1-0.6Li); Na2 Sr[Cu2 Sn2 S7 ] (2); and Na2 Ba[Cu2 Sn2 S7 ] (3). We use the structural tolerance factor ( t I e x p ${{t}_{I}^{exp}}$ ) to connect the chemical composition, crystal structure, and NLO properties. Guided by these correlations, a better balance between Eg and SHG is realized in 1, which exhibits a large Eg of 3.42â
eV and excellent NLO properties (SHG 1.5×AGS; laser-induced damage threshold 12×AGS), representing the best performance among the known Hg- or As-free sulfides to date.
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Collection:
01-internacional
Database:
MEDLINE
Language:
En
Journal:
Angew Chem Int Ed Engl
Year:
2023
Document type:
Article