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Rational Design of a Rare-Earth Oxychalcogenide Nd 3 [Ga 3 O 3 S 3 ][Ge 2 O 7 ] with Superior Infrared Nonlinear Optical Performance.
- Source :
-
Small (Weinheim an der Bergstrasse, Germany) [Small] 2023 May; Vol. 19 (19), pp. e2300248. Date of Electronic Publication: 2023 Feb 12. - Publication Year :
- 2023
-
Abstract
- Inorganic chalcogenides have been studied as the most promising infrared (IR) nonlinear optical (NLO) candidates for the past decades. However, it is proven difficult to discover high-performance materials that combine the often-incompatible properties of large energy gap (E <subscript>g</subscript> ) and strong second harmonic generation (SHG) response (d <subscript>eff</subscript> ), especially for rare-earth chalcogenides. Herein, centrosymmetric Cs <subscript>3</subscript> [Sb <subscript>3</subscript> O <subscript>6</subscript> ][Ge <subscript>2</subscript> O <subscript>7</subscript> ] is selected as a maternal structure and a new noncentrosymmetric rare-earth oxychalcogenide, namely, Nd <subscript>3</subscript> [Ga <subscript>3</subscript> O <subscript>3</subscript> S <subscript>3</subscript> ][Ge <subscript>2</subscript> O <subscript>7</subscript> ], is successfully designed and obtained by the module substitution strategy for the first time. Especially, Nd <subscript>3</subscript> [Ga <subscript>3</subscript> O <subscript>3</subscript> S <subscript>3</subscript> ][Ge <subscript>2</subscript> O <subscript>7</subscript> ] is the first case of breaking the trade-off relationship between wide E <subscript>g</subscript> (>3.5 eV) and large d <subscript>eff</subscript> (>0.5 × AgGaS <subscript>2</subscript> ) in rare-earth chalcogenide system, and thus displays an outstanding IR-NLO comprehensive performance. Detailed structure analyses and theoretical studies reveal that the NLO effect originates mainly from the cooperation of heteroanionic [GaO <subscript>2</subscript> S <subscript>2</subscript> ] and [NdO <subscript>2</subscript> S <subscript>6</subscript> ] asymmetric building blocks. This work not only presents an excellent rare-earth IR-NLO candidate, but also plays a crucial role in the rational structure design of other NLO materials in which both large E <subscript>g</subscript> and strong d <subscript>eff</subscript> are pursued.<br /> (© 2023 Wiley-VCH GmbH.)
Details
- Language :
- English
- ISSN :
- 1613-6829
- Volume :
- 19
- Issue :
- 19
- Database :
- MEDLINE
- Journal :
- Small (Weinheim an der Bergstrasse, Germany)
- Publication Type :
- Academic Journal
- Accession number :
- 36775973
- Full Text :
- https://doi.org/10.1002/smll.202300248