Na2Ba[Na2Sn2S7]: Structural Tolerance Factor‐Guided NLO Performance Improvement

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, Na2Ba[(AgxNa1−x)2Sn2S7...

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Veröffentlicht in:Angewandte Chemie International Edition 2023-02, Vol.62 (7), p.n/a
Hauptverfasser: Li, Rui‐An, Liu, Qian‐Qian, Liu, Xin, Liu, Youquan, Jiang, Xingxing, Lin, Zheshuai, Jia, Fei, Xiong, Lin, Chen, Ling, Wu, Li‐Ming
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container_title Angewandte Chemie International Edition
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creator Li, Rui‐An
Liu, Qian‐Qian
Liu, Xin
Liu, Youquan
Jiang, Xingxing
Lin, Zheshuai
Jia, Fei
Xiong, Lin
Chen, Ling
Wu, Li‐Ming
description 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, Na2Ba[(AgxNa1−x)2Sn2S7] (1, x=0; 1 series, x=0.1–0.6; Na2Ba[(Li0.58Na0.42)2Sn2S7], 1‐0.6Li); Na2Sr[Cu2Sn2S7] (2); and Na2Ba[Cu2Sn2S7] (3). We use the structural tolerance factor ( tIexp ${{t}_{I}^{exp}}$ ) 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 3.42 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. Guided by the relationships between the structural tolerance factor and the dopant concentration and second‐order susceptibility, a better balance between Eg and SHG is realized in Na2Ba [Na2Sn2S7] 1, which exhibits a large Eg of 3.42 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.
doi_str_mv 10.1002/anie.202218048
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Herein, we report 8 new sulfides, Na2Ba[(AgxNa1−x)2Sn2S7] (1, x=0; 1 series, x=0.1–0.6; Na2Ba[(Li0.58Na0.42)2Sn2S7], 1‐0.6Li); Na2Sr[Cu2Sn2S7] (2); and Na2Ba[Cu2Sn2S7] (3). We use the structural tolerance factor ( tIexp ${{t}_{I}^{exp}}$ ) 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 3.42 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. Guided by the relationships between the structural tolerance factor and the dopant concentration and second‐order susceptibility, a better balance between Eg and SHG is realized in Na2Ba [Na2Sn2S7] 1, which exhibits a large Eg of 3.42 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.</description><edition>International ed. in English</edition><identifier>ISSN: 1433-7851</identifier><identifier>EISSN: 1521-3773</identifier><identifier>DOI: 10.1002/anie.202218048</identifier><language>eng</language><publisher>Weinheim: Wiley Subscription Services, Inc</publisher><subject>Chalcogenides ; Chemical composition ; Crystal structure ; Harmonic generations ; Laser damage ; Mutual coupling ; Nonlinear Optics ; Second-Harmonic Generation ; Structural Tolerance Factors ; Sulfides ; Yield point</subject><ispartof>Angewandte Chemie International Edition, 2023-02, Vol.62 (7), p.n/a</ispartof><rights>2022 Wiley‐VCH GmbH</rights><rights>2023 Wiley‐VCH GmbH</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><orcidid>0000-0002-3693-4193</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://onlinelibrary.wiley.com/doi/pdf/10.1002%2Fanie.202218048$$EPDF$$P50$$Gwiley$$H</linktopdf><linktohtml>$$Uhttps://onlinelibrary.wiley.com/doi/full/10.1002%2Fanie.202218048$$EHTML$$P50$$Gwiley$$H</linktohtml><link.rule.ids>315,782,786,1419,27933,27934,45583,45584</link.rule.ids></links><search><creatorcontrib>Li, Rui‐An</creatorcontrib><creatorcontrib>Liu, Qian‐Qian</creatorcontrib><creatorcontrib>Liu, Xin</creatorcontrib><creatorcontrib>Liu, Youquan</creatorcontrib><creatorcontrib>Jiang, Xingxing</creatorcontrib><creatorcontrib>Lin, Zheshuai</creatorcontrib><creatorcontrib>Jia, Fei</creatorcontrib><creatorcontrib>Xiong, Lin</creatorcontrib><creatorcontrib>Chen, Ling</creatorcontrib><creatorcontrib>Wu, Li‐Ming</creatorcontrib><title>Na2Ba[Na2Sn2S7]: Structural Tolerance Factor‐Guided NLO Performance Improvement</title><title>Angewandte Chemie International Edition</title><description>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. 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Guided by the relationships between the structural tolerance factor and the dopant concentration and second‐order susceptibility, a better balance between Eg and SHG is realized in Na2Ba [Na2Sn2S7] 1, which exhibits a large Eg of 3.42 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.</description><subject>Chalcogenides</subject><subject>Chemical composition</subject><subject>Crystal structure</subject><subject>Harmonic generations</subject><subject>Laser damage</subject><subject>Mutual coupling</subject><subject>Nonlinear Optics</subject><subject>Second-Harmonic Generation</subject><subject>Structural Tolerance Factors</subject><subject>Sulfides</subject><subject>Yield point</subject><issn>1433-7851</issn><issn>1521-3773</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2023</creationdate><recordtype>article</recordtype><recordid>eNo9UMtOAkEQnBhNRPTqeRPPi_PYnWm8IQEkIaABT8ZMhtneZMk-cHYXw81P8Bv9EgcxXLqr0pWuShFyy2iPUcrvTZlhj1POGdAIzkiHxZyFQilx7nEkRKggZpfkqq43Xg9AZYe8zA1_NG9-Lku-VO8PwbJxrW1aZ_JgVeXoTGkxGBvbVO7n63vSZgkmwXy2CJ7RpZUr_u7TYuuqHRZYNtfkIjV5jTf_u0tex6PV8CmcLSbT4WAWbrkQEK6VRZ_NJipGmhoJEqVdp1EsEsQ-WBmvI0-tiUB4LBlFn5mlkECfiYSLLrk7_vXOHy3Wjd5UrSu9peZKMeDA5UHVP6o-sxz3euuywri9ZlQfOtOHzvSpMz2YT0cnJn4BQiBijw</recordid><startdate>20230206</startdate><enddate>20230206</enddate><creator>Li, Rui‐An</creator><creator>Liu, Qian‐Qian</creator><creator>Liu, Xin</creator><creator>Liu, Youquan</creator><creator>Jiang, Xingxing</creator><creator>Lin, Zheshuai</creator><creator>Jia, Fei</creator><creator>Xiong, Lin</creator><creator>Chen, Ling</creator><creator>Wu, Li‐Ming</creator><general>Wiley Subscription Services, Inc</general><scope>7TM</scope><scope>K9.</scope><orcidid>https://orcid.org/0000-0002-3693-4193</orcidid></search><sort><creationdate>20230206</creationdate><title>Na2Ba[Na2Sn2S7]: Structural Tolerance Factor‐Guided NLO Performance Improvement</title><author>Li, Rui‐An ; Liu, Qian‐Qian ; Liu, Xin ; Liu, Youquan ; Jiang, Xingxing ; Lin, Zheshuai ; Jia, Fei ; Xiong, Lin ; Chen, Ling ; Wu, Li‐Ming</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-p2338-b7ce377cd75e0fa686e6cbf453dee98c65b4bf4ca48365b610e0281f8d8913d23</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2023</creationdate><topic>Chalcogenides</topic><topic>Chemical composition</topic><topic>Crystal structure</topic><topic>Harmonic generations</topic><topic>Laser damage</topic><topic>Mutual coupling</topic><topic>Nonlinear Optics</topic><topic>Second-Harmonic Generation</topic><topic>Structural Tolerance Factors</topic><topic>Sulfides</topic><topic>Yield point</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Li, Rui‐An</creatorcontrib><creatorcontrib>Liu, Qian‐Qian</creatorcontrib><creatorcontrib>Liu, Xin</creatorcontrib><creatorcontrib>Liu, Youquan</creatorcontrib><creatorcontrib>Jiang, Xingxing</creatorcontrib><creatorcontrib>Lin, Zheshuai</creatorcontrib><creatorcontrib>Jia, Fei</creatorcontrib><creatorcontrib>Xiong, Lin</creatorcontrib><creatorcontrib>Chen, Ling</creatorcontrib><creatorcontrib>Wu, Li‐Ming</creatorcontrib><collection>Nucleic Acids Abstracts</collection><collection>ProQuest Health &amp; Medical Complete (Alumni)</collection><jtitle>Angewandte Chemie International Edition</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Li, Rui‐An</au><au>Liu, Qian‐Qian</au><au>Liu, Xin</au><au>Liu, Youquan</au><au>Jiang, Xingxing</au><au>Lin, Zheshuai</au><au>Jia, Fei</au><au>Xiong, Lin</au><au>Chen, Ling</au><au>Wu, Li‐Ming</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Na2Ba[Na2Sn2S7]: Structural Tolerance Factor‐Guided NLO Performance Improvement</atitle><jtitle>Angewandte Chemie International Edition</jtitle><date>2023-02-06</date><risdate>2023</risdate><volume>62</volume><issue>7</issue><epage>n/a</epage><issn>1433-7851</issn><eissn>1521-3773</eissn><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, Na2Ba[(AgxNa1−x)2Sn2S7] (1, x=0; 1 series, x=0.1–0.6; Na2Ba[(Li0.58Na0.42)2Sn2S7], 1‐0.6Li); Na2Sr[Cu2Sn2S7] (2); and Na2Ba[Cu2Sn2S7] (3). We use the structural tolerance factor ( tIexp ${{t}_{I}^{exp}}$ ) 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 3.42 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. Guided by the relationships between the structural tolerance factor and the dopant concentration and second‐order susceptibility, a better balance between Eg and SHG is realized in Na2Ba [Na2Sn2S7] 1, which exhibits a large Eg of 3.42 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.</abstract><cop>Weinheim</cop><pub>Wiley Subscription Services, Inc</pub><doi>10.1002/anie.202218048</doi><tpages>6</tpages><edition>International ed. in English</edition><orcidid>https://orcid.org/0000-0002-3693-4193</orcidid></addata></record>
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subjects Chalcogenides
Chemical composition
Crystal structure
Harmonic generations
Laser damage
Mutual coupling
Nonlinear Optics
Second-Harmonic Generation
Structural Tolerance Factors
Sulfides
Yield point
title Na2Ba[Na2Sn2S7]: Structural Tolerance Factor‐Guided NLO Performance Improvement
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