Direct observation of Eu atoms in AlN lattice and the first‐principles simulations
Rare‐earth metal (Eu)‐doped aluminum nitride has potential application as luminescence materials due to its unusual mechanical and physical properties, as well as high chemical stability. Here, we investigate the energetics, local structure and optical and electronic properties by means of a combina...
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| Veröffentlicht in: | Journal of the American Ceramic Society 2019-01, Vol.102 (1), p.310-319 |
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| container_title | Journal of the American Ceramic Society |
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| creator | Yin, Liang‐Jun Zhang, Sheng‐Hui Wang, Hui Jian, Xian Wang, Xin Xu, Xin Liu, Ming‐Zhen Fang, Chang‐Ming |
| description | Rare‐earth metal (Eu)‐doped aluminum nitride has potential application as luminescence materials due to its unusual mechanical and physical properties, as well as high chemical stability. Here, we investigate the energetics, local structure and optical and electronic properties by means of a combination of experimental observations (XDR, SEM, HR‐TEM and XANES) and first‐principles simulations. Present study has revealed that Eu ions are likely to be co‐doped with O in the form of Eu–O pairs. Eu ions or Eu–O pairs favor participation at the surfaces of the AlN crystallites. Our analyses show dependences of the Eu valence and electronic/optical properties on the local chemical composition and structure. The obtained information helps us to realize tuning of the optical properties of the luminescent materials via composition and site occupation modification. |
| doi_str_mv | 10.1111/jace.15912 |
| format | Article |
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Here, we investigate the energetics, local structure and optical and electronic properties by means of a combination of experimental observations (XDR, SEM, HR‐TEM and XANES) and first‐principles simulations. Present study has revealed that Eu ions are likely to be co‐doped with O in the form of Eu–O pairs. Eu ions or Eu–O pairs favor participation at the surfaces of the AlN crystallites. Our analyses show dependences of the Eu valence and electronic/optical properties on the local chemical composition and structure. 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The obtained information helps us to realize tuning of the optical properties of the luminescent materials via composition and site occupation modification.</description><subject>AlN</subject><subject>Aluminum nitride</subject><subject>Chemical composition</subject><subject>Crystallites</subject><subject>Electronic properties</subject><subject>Eu site</subject><subject>first‐principle calculation</subject><subject>Optical properties</subject><subject>Organic chemistry</subject><subject>phosphor</subject><subject>Physical properties</subject><issn>0002-7820</issn><issn>1551-2916</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2019</creationdate><recordtype>article</recordtype><recordid>eNp9kM1KAzEUhYMoWKsbnyDgTpia38lkWWr9o-imrkMmzWDKdFKTjNKdj-Az-iSmHdfezeHCd869HAAuMZrgPDdrbewEc4nJERhhznFBJC6PwQghRApREXQKzmJc5xXLio3A8tYFaxL0dbThQyfnO-gbOO-hTn4ToevgtH2GrU7JGQt1t4LpzcLGhZh-vr63wXXGbVsbYXSbvj0ExHNw0ug22os_HYPXu_ly9lAsXu4fZ9NFYSgVpKi5KWu-wpQiQpssFSJYMt0IygSvGZIlMwaTUlBdMyms4VYSwpAmFEkq6BhcDbnb4N97G5Na-z50-aQi2cYqRjI3BtcDZYKPMdhG5a83OuwURmrfmtq3pg6tZRgP8Kdr7e4fUj1NZ_PB8wvEB242</recordid><startdate>201901</startdate><enddate>201901</enddate><creator>Yin, Liang‐Jun</creator><creator>Zhang, Sheng‐Hui</creator><creator>Wang, Hui</creator><creator>Jian, Xian</creator><creator>Wang, Xin</creator><creator>Xu, Xin</creator><creator>Liu, Ming‐Zhen</creator><creator>Fang, Chang‐Ming</creator><general>Wiley Subscription Services, Inc</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7QQ</scope><scope>7SR</scope><scope>8FD</scope><scope>JG9</scope><orcidid>https://orcid.org/0000-0003-1772-2213</orcidid><orcidid>https://orcid.org/0000-0001-6547-255X</orcidid></search><sort><creationdate>201901</creationdate><title>Direct observation of Eu atoms in AlN lattice and the first‐principles simulations</title><author>Yin, Liang‐Jun ; Zhang, Sheng‐Hui ; Wang, Hui ; Jian, Xian ; Wang, Xin ; Xu, Xin ; Liu, Ming‐Zhen ; Fang, Chang‐Ming</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c3372-b5c6b5d133023f133802194af73475b40964cc12673ab497ec5e92240a2309373</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2019</creationdate><topic>AlN</topic><topic>Aluminum nitride</topic><topic>Chemical composition</topic><topic>Crystallites</topic><topic>Electronic properties</topic><topic>Eu site</topic><topic>first‐principle calculation</topic><topic>Optical properties</topic><topic>Organic chemistry</topic><topic>phosphor</topic><topic>Physical properties</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Yin, Liang‐Jun</creatorcontrib><creatorcontrib>Zhang, Sheng‐Hui</creatorcontrib><creatorcontrib>Wang, Hui</creatorcontrib><creatorcontrib>Jian, Xian</creatorcontrib><creatorcontrib>Wang, Xin</creatorcontrib><creatorcontrib>Xu, Xin</creatorcontrib><creatorcontrib>Liu, Ming‐Zhen</creatorcontrib><creatorcontrib>Fang, Chang‐Ming</creatorcontrib><collection>CrossRef</collection><collection>Ceramic Abstracts</collection><collection>Engineered Materials Abstracts</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><jtitle>Journal of the American Ceramic Society</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Yin, Liang‐Jun</au><au>Zhang, Sheng‐Hui</au><au>Wang, Hui</au><au>Jian, Xian</au><au>Wang, Xin</au><au>Xu, Xin</au><au>Liu, Ming‐Zhen</au><au>Fang, Chang‐Ming</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Direct observation of Eu atoms in AlN lattice and the first‐principles simulations</atitle><jtitle>Journal of the American Ceramic Society</jtitle><date>2019-01</date><risdate>2019</risdate><volume>102</volume><issue>1</issue><spage>310</spage><epage>319</epage><pages>310-319</pages><issn>0002-7820</issn><eissn>1551-2916</eissn><abstract>Rare‐earth metal (Eu)‐doped aluminum nitride has potential application as luminescence materials due to its unusual mechanical and physical properties, as well as high chemical stability. 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| subjects | AlN Aluminum nitride Chemical composition Crystallites Electronic properties Eu site first‐principle calculation Optical properties Organic chemistry phosphor Physical properties |
| title | Direct observation of Eu atoms in AlN lattice and the first‐principles simulations |
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