AAl3P6O20 (A = Rb, Cs): Two deep-ultraviolet transparent nonlinear optical materials designed by aliovalent substitution

●AAl3P6O20 (A = Rb, Cs) were designed from Ba5P6O20 by aliovalent substitution.●They exhibit the shortest cutoff edges (

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Veröffentlicht in:Journal of alloys and compounds 2022-05, Vol.902, p.162608, Article 162608
Hauptverfasser: Lv, Jiarong, Qian, Yanyan, Zhu, Yuetong, Jing, Qun, Wang, Xinmei, Chen, Zhaohui
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container_title Journal of alloys and compounds
container_volume 902
creator Lv, Jiarong
Qian, Yanyan
Zhu, Yuetong
Jing, Qun
Wang, Xinmei
Chen, Zhaohui
description ●AAl3P6O20 (A = Rb, Cs) were designed from Ba5P6O20 by aliovalent substitution.●They exhibit the shortest cutoff edges (
doi_str_mv 10.1016/j.jallcom.2021.162608
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We obtained two Al-based triphosphates AAl3P6O20 (A = Rb, Cs) by aliovalent substitution and they have the shortest cutoff edges (&lt;190 nm) among Al-based phosphates. [Display omitted] Two deep-ultraviolet (DUV) transparent nonlinear optical (NLO) materials, AAl3P6O20 (A = Rb, Cs) (I, II), have been elaborately designed from Ba5P6O20 by aliovalent substitution strategy. Both of compounds crystallize in noncentrosymmetric (NCS) C2221 (No. 20) space group with three-dimensional (3D) ∞3Al3P6O20skeleton. The cutoff edges of I and II are lower than 190 nm, which are the shortest ones among the reported Al-based phosphates. In addition, their syntheses, thermal properties, NLO performances are discussed and the first-principles calculation elucidates the origin of the optical properties. This study shows that aliovalent substitution is an effective synthetic route for designing DUV transparent Al-based phosphates NLO materials.</description><identifier>ISSN: 0925-8388</identifier><identifier>EISSN: 1873-4669</identifier><identifier>DOI: 10.1016/j.jallcom.2021.162608</identifier><language>eng</language><publisher>Lausanne: Elsevier B.V</publisher><subject>Al-based phosphates ; Aliovalent substitution ; Cesium ; First principles ; Nonlinear optical material ; Nonlinear optics ; Optical materials ; Optical properties ; Optics ; Phosphates ; Short cutoff edge ; Substitutes ; Thermodynamic properties</subject><ispartof>Journal of alloys and compounds, 2022-05, Vol.902, p.162608, Article 162608</ispartof><rights>2021</rights><rights>Copyright Elsevier BV May 5, 2022</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c252t-b3797bdbebfec0a3fe0be379c4bd5560e11d59aafd77715c751cb5da49c408f63</citedby><cites>FETCH-LOGICAL-c252t-b3797bdbebfec0a3fe0be379c4bd5560e11d59aafd77715c751cb5da49c408f63</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://dx.doi.org/10.1016/j.jallcom.2021.162608$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>314,780,784,3550,27924,27925,45995</link.rule.ids></links><search><creatorcontrib>Lv, Jiarong</creatorcontrib><creatorcontrib>Qian, Yanyan</creatorcontrib><creatorcontrib>Zhu, Yuetong</creatorcontrib><creatorcontrib>Jing, Qun</creatorcontrib><creatorcontrib>Wang, Xinmei</creatorcontrib><creatorcontrib>Chen, Zhaohui</creatorcontrib><title>AAl3P6O20 (A = Rb, Cs): Two deep-ultraviolet transparent nonlinear optical materials designed by aliovalent substitution</title><title>Journal of alloys and compounds</title><description>●AAl3P6O20 (A = Rb, Cs) were designed from Ba5P6O20 by aliovalent substitution.●They exhibit the shortest cutoff edges (&lt;190 nm) among Al-based phosphates.●Flexible P3O10 groups are favorable for designing NCS crystal structures. We obtained two Al-based triphosphates AAl3P6O20 (A = Rb, Cs) by aliovalent substitution and they have the shortest cutoff edges (&lt;190 nm) among Al-based phosphates. [Display omitted] Two deep-ultraviolet (DUV) transparent nonlinear optical (NLO) materials, AAl3P6O20 (A = Rb, Cs) (I, II), have been elaborately designed from Ba5P6O20 by aliovalent substitution strategy. Both of compounds crystallize in noncentrosymmetric (NCS) C2221 (No. 20) space group with three-dimensional (3D) ∞3Al3P6O20skeleton. The cutoff edges of I and II are lower than 190 nm, which are the shortest ones among the reported Al-based phosphates. In addition, their syntheses, thermal properties, NLO performances are discussed and the first-principles calculation elucidates the origin of the optical properties. This study shows that aliovalent substitution is an effective synthetic route for designing DUV transparent Al-based phosphates NLO materials.</description><subject>Al-based phosphates</subject><subject>Aliovalent substitution</subject><subject>Cesium</subject><subject>First principles</subject><subject>Nonlinear optical material</subject><subject>Nonlinear optics</subject><subject>Optical materials</subject><subject>Optical properties</subject><subject>Optics</subject><subject>Phosphates</subject><subject>Short cutoff edge</subject><subject>Substitutes</subject><subject>Thermodynamic properties</subject><issn>0925-8388</issn><issn>1873-4669</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2022</creationdate><recordtype>article</recordtype><recordid>eNqFkN1qGzEQRkVooa6bRygIetNC15F2Le1uoQRjkjZgSAjJtdDPbNAiS1tJ6zRvHxnnPlczDN-ZYQ5CXylZUUL5xbgapXM67Fc1qemK8pqT7gwtaNc21Zrz_gNakL5mVdd03Sf0OaWREEL7hi7Q_83GNXf8tib4-wb_xvfqJ96mH7_ww3PABmCqZpejPNjgIOPS-TTJCD5jH7yzHmTEYcpWS4f3MkO00qUCJvvkwWD1gqWz4SDdEUmzStnmOdvgv6CPQ4nC-Vtdosfrq4ft32p3--dmu9lVumZ1rlTT9q0yCtQAmshmAKKgzPRaGcY4AUoN66UcTNu2lOmWUa2YkeuSIN3AmyX6dto7xfBvhpTFGOboy0lR8zVhHeNF0xKxU0rHkFKEQUzR7mV8EZSIo2QxijfJ4ihZnCQX7vLEQXnhYCGKpC14DcZG0FmYYN_Z8AqHAYkb</recordid><startdate>20220505</startdate><enddate>20220505</enddate><creator>Lv, Jiarong</creator><creator>Qian, Yanyan</creator><creator>Zhu, Yuetong</creator><creator>Jing, Qun</creator><creator>Wang, Xinmei</creator><creator>Chen, Zhaohui</creator><general>Elsevier B.V</general><general>Elsevier BV</general><scope>AAYXX</scope><scope>CITATION</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope></search><sort><creationdate>20220505</creationdate><title>AAl3P6O20 (A = Rb, Cs): Two deep-ultraviolet transparent nonlinear optical materials designed by aliovalent substitution</title><author>Lv, Jiarong ; Qian, Yanyan ; Zhu, Yuetong ; Jing, Qun ; Wang, Xinmei ; Chen, Zhaohui</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c252t-b3797bdbebfec0a3fe0be379c4bd5560e11d59aafd77715c751cb5da49c408f63</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2022</creationdate><topic>Al-based phosphates</topic><topic>Aliovalent substitution</topic><topic>Cesium</topic><topic>First principles</topic><topic>Nonlinear optical material</topic><topic>Nonlinear optics</topic><topic>Optical materials</topic><topic>Optical properties</topic><topic>Optics</topic><topic>Phosphates</topic><topic>Short cutoff edge</topic><topic>Substitutes</topic><topic>Thermodynamic properties</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Lv, Jiarong</creatorcontrib><creatorcontrib>Qian, Yanyan</creatorcontrib><creatorcontrib>Zhu, Yuetong</creatorcontrib><creatorcontrib>Jing, Qun</creatorcontrib><creatorcontrib>Wang, Xinmei</creatorcontrib><creatorcontrib>Chen, Zhaohui</creatorcontrib><collection>CrossRef</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><jtitle>Journal of alloys and compounds</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Lv, Jiarong</au><au>Qian, Yanyan</au><au>Zhu, Yuetong</au><au>Jing, Qun</au><au>Wang, Xinmei</au><au>Chen, Zhaohui</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>AAl3P6O20 (A = Rb, Cs): Two deep-ultraviolet transparent nonlinear optical materials designed by aliovalent substitution</atitle><jtitle>Journal of alloys and compounds</jtitle><date>2022-05-05</date><risdate>2022</risdate><volume>902</volume><spage>162608</spage><pages>162608-</pages><artnum>162608</artnum><issn>0925-8388</issn><eissn>1873-4669</eissn><abstract>●AAl3P6O20 (A = Rb, Cs) were designed from Ba5P6O20 by aliovalent substitution.●They exhibit the shortest cutoff edges (&lt;190 nm) among Al-based phosphates.●Flexible P3O10 groups are favorable for designing NCS crystal structures. We obtained two Al-based triphosphates AAl3P6O20 (A = Rb, Cs) by aliovalent substitution and they have the shortest cutoff edges (&lt;190 nm) among Al-based phosphates. [Display omitted] Two deep-ultraviolet (DUV) transparent nonlinear optical (NLO) materials, AAl3P6O20 (A = Rb, Cs) (I, II), have been elaborately designed from Ba5P6O20 by aliovalent substitution strategy. Both of compounds crystallize in noncentrosymmetric (NCS) C2221 (No. 20) space group with three-dimensional (3D) ∞3Al3P6O20skeleton. The cutoff edges of I and II are lower than 190 nm, which are the shortest ones among the reported Al-based phosphates. In addition, their syntheses, thermal properties, NLO performances are discussed and the first-principles calculation elucidates the origin of the optical properties. This study shows that aliovalent substitution is an effective synthetic route for designing DUV transparent Al-based phosphates NLO materials.</abstract><cop>Lausanne</cop><pub>Elsevier B.V</pub><doi>10.1016/j.jallcom.2021.162608</doi></addata></record>
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subjects Al-based phosphates
Aliovalent substitution
Cesium
First principles
Nonlinear optical material
Nonlinear optics
Optical materials
Optical properties
Optics
Phosphates
Short cutoff edge
Substitutes
Thermodynamic properties
title AAl3P6O20 (A = Rb, Cs): Two deep-ultraviolet transparent nonlinear optical materials designed by aliovalent substitution
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