Pressure-Induced Intersite BiM (M=Ru, Ir) Valence Transitions in Hexagonal Perovskites
Pressure‐induced charge transfer from Bi to Ir/Ru is observed in the hexagonal perovskites Ba3+nBiM2+nO9+3n (n=0,1; M=Ir,Ru). These compounds show first‐order, circa 1 % volume contractions at room temperature above 5 GPa, which are due to the large reduction in the effective ionic radius of Bi when...
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| Veröffentlicht in: | Angewandte Chemie 2014-03, Vol.126 (13), p.3482-3485 |
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| creator | Huang, Zixin Auckett, Josie E. Blanchard, Peter E. R. Kennedy, Brendan J. Miiller, Wojciech Zhou, Qingdi Avdeev, Maxim Johnson, Mark R. Zbiri, Mohamed Garbarino, Gaston Marshall, William G. Gu, Qinfen Ling, Chris D. |
| description | Pressure‐induced charge transfer from Bi to Ir/Ru is observed in the hexagonal perovskites Ba3+nBiM2+nO9+3n (n=0,1; M=Ir,Ru). These compounds show first‐order, circa 1 % volume contractions at room temperature above 5 GPa, which are due to the large reduction in the effective ionic radius of Bi when the 6s shell is emptied on oxidation, compared to the relatively negligible effect of reduction on the radii of Ir or Ru. They are the first such transitions involving 4d and 5d compounds, and they double the total number of cases known. Ab initio calculations suggest that magnetic interactions through very short (ca. 2.6 Å) MM bonds contribute to the finely balanced nature of their electronic states.
Der druckinduzierte Ladungstransfer von einem Element auf das andere in drei hexagonalen Perowskiten liefert das erste Beispiel für derartige Prozesse mit 4d‐ oder 5d‐Metallen. Elektronen können aus der 6s‐Schale von Bi „herausgepresst“ und von den 4d‐ oder 5d‐Schalen von Ru/Ir aufgenommen werden. Die damit einhergehende Volumenverringerung um 1 % ist oberhalb 5 GPa von Vorteil. |
| doi_str_mv | 10.1002/ange.201311159 |
| format | Article |
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Der druckinduzierte Ladungstransfer von einem Element auf das andere in drei hexagonalen Perowskiten liefert das erste Beispiel für derartige Prozesse mit 4d‐ oder 5d‐Metallen. Elektronen können aus der 6s‐Schale von Bi „herausgepresst“ und von den 4d‐ oder 5d‐Schalen von Ru/Ir aufgenommen werden. Die damit einhergehende Volumenverringerung um 1 % ist oberhalb 5 GPa von Vorteil.</description><identifier>ISSN: 0044-8249</identifier><identifier>EISSN: 1521-3757</identifier><identifier>DOI: 10.1002/ange.201311159</identifier><language>eng</language><publisher>Weinheim: WILEY-VCH Verlag</publisher><subject>Ab-initio-Rechnungen ; Balancing ; Charge transfer ; Electron states ; Hochdruckchemie ; Ladungstransfer ; Mathematical analysis ; Oxidation ; Perovskites ; Perowskite ; Phasenübergänge ; Reduction</subject><ispartof>Angewandte Chemie, 2014-03, Vol.126 (13), p.3482-3485</ispartof><rights>2014 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c2059-55b695f3d44198f11c8f99c8a3465c578a940e01e61b5516146043130fe6e53a3</citedby><cites>FETCH-LOGICAL-c2059-55b695f3d44198f11c8f99c8a3465c578a940e01e61b5516146043130fe6e53a3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://onlinelibrary.wiley.com/doi/pdf/10.1002%2Fange.201311159$$EPDF$$P50$$Gwiley$$H</linktopdf><linktohtml>$$Uhttps://onlinelibrary.wiley.com/doi/full/10.1002%2Fange.201311159$$EHTML$$P50$$Gwiley$$H</linktohtml><link.rule.ids>314,777,781,1413,27906,27907,45556,45557</link.rule.ids></links><search><creatorcontrib>Huang, Zixin</creatorcontrib><creatorcontrib>Auckett, Josie E.</creatorcontrib><creatorcontrib>Blanchard, Peter E. R.</creatorcontrib><creatorcontrib>Kennedy, Brendan J.</creatorcontrib><creatorcontrib>Miiller, Wojciech</creatorcontrib><creatorcontrib>Zhou, Qingdi</creatorcontrib><creatorcontrib>Avdeev, Maxim</creatorcontrib><creatorcontrib>Johnson, Mark R.</creatorcontrib><creatorcontrib>Zbiri, Mohamed</creatorcontrib><creatorcontrib>Garbarino, Gaston</creatorcontrib><creatorcontrib>Marshall, William G.</creatorcontrib><creatorcontrib>Gu, Qinfen</creatorcontrib><creatorcontrib>Ling, Chris D.</creatorcontrib><title>Pressure-Induced Intersite BiM (M=Ru, Ir) Valence Transitions in Hexagonal Perovskites</title><title>Angewandte Chemie</title><addtitle>Angew. Chem</addtitle><description>Pressure‐induced charge transfer from Bi to Ir/Ru is observed in the hexagonal perovskites Ba3+nBiM2+nO9+3n (n=0,1; M=Ir,Ru). These compounds show first‐order, circa 1 % volume contractions at room temperature above 5 GPa, which are due to the large reduction in the effective ionic radius of Bi when the 6s shell is emptied on oxidation, compared to the relatively negligible effect of reduction on the radii of Ir or Ru. They are the first such transitions involving 4d and 5d compounds, and they double the total number of cases known. Ab initio calculations suggest that magnetic interactions through very short (ca. 2.6 Å) MM bonds contribute to the finely balanced nature of their electronic states.
Der druckinduzierte Ladungstransfer von einem Element auf das andere in drei hexagonalen Perowskiten liefert das erste Beispiel für derartige Prozesse mit 4d‐ oder 5d‐Metallen. Elektronen können aus der 6s‐Schale von Bi „herausgepresst“ und von den 4d‐ oder 5d‐Schalen von Ru/Ir aufgenommen werden. Die damit einhergehende Volumenverringerung um 1 % ist oberhalb 5 GPa von Vorteil.</description><subject>Ab-initio-Rechnungen</subject><subject>Balancing</subject><subject>Charge transfer</subject><subject>Electron states</subject><subject>Hochdruckchemie</subject><subject>Ladungstransfer</subject><subject>Mathematical analysis</subject><subject>Oxidation</subject><subject>Perovskites</subject><subject>Perowskite</subject><subject>Phasenübergänge</subject><subject>Reduction</subject><issn>0044-8249</issn><issn>1521-3757</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2014</creationdate><recordtype>article</recordtype><recordid>eNqFkTtOw0AQhlcIJMKjpXYJEg4z3l3bW1DwTCIlvMRDgmK1OGNkcNawG0PoaDgJB-EuXIArYBSE6Kim-b6_-IaxFYQ2AkQbxt5QOwLkiCjVDGuhjDDkiUxmWQtAiDCNhJpnC97fAkAcJarFro4ceV87Cnt2WGc0DHp2TM4XYwq2i8-390GwOtg8qdc_Xl57bi04NyXZjIJTZ2wDFZX1QWGDLk3MTWVNGRyRqx79XeP7JTaXm9LT8s9dZGf7e6c73bB_2OntbPXDLAKpQimvYyVzPhQCVZojZmmuVJYaLmKZySQ1SgABUozXUmKMIgbBkUNOMUlu-CJbne7eu-qhJj_Wo8JnVJbGUlV7jQmAUqkQUYO2p2jmKu8d5freFSPjnjWC_q6ovyvq34qNoKbCU1HS8z-03jro7P11w6lb-DFNfl3j7nScNH_RFwcdvX0-SHb7x5ca-RcG14Xh</recordid><startdate>20140324</startdate><enddate>20140324</enddate><creator>Huang, Zixin</creator><creator>Auckett, Josie E.</creator><creator>Blanchard, Peter E. R.</creator><creator>Kennedy, Brendan J.</creator><creator>Miiller, Wojciech</creator><creator>Zhou, Qingdi</creator><creator>Avdeev, Maxim</creator><creator>Johnson, Mark R.</creator><creator>Zbiri, Mohamed</creator><creator>Garbarino, Gaston</creator><creator>Marshall, William G.</creator><creator>Gu, Qinfen</creator><creator>Ling, Chris D.</creator><general>WILEY-VCH Verlag</general><general>WILEY‐VCH Verlag</general><scope>BSCLL</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope></search><sort><creationdate>20140324</creationdate><title>Pressure-Induced Intersite BiM (M=Ru, Ir) Valence Transitions in Hexagonal Perovskites</title><author>Huang, Zixin ; Auckett, Josie E. ; Blanchard, Peter E. R. ; Kennedy, Brendan J. ; Miiller, Wojciech ; Zhou, Qingdi ; Avdeev, Maxim ; Johnson, Mark R. ; Zbiri, Mohamed ; Garbarino, Gaston ; Marshall, William G. ; Gu, Qinfen ; Ling, Chris D.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c2059-55b695f3d44198f11c8f99c8a3465c578a940e01e61b5516146043130fe6e53a3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2014</creationdate><topic>Ab-initio-Rechnungen</topic><topic>Balancing</topic><topic>Charge transfer</topic><topic>Electron states</topic><topic>Hochdruckchemie</topic><topic>Ladungstransfer</topic><topic>Mathematical analysis</topic><topic>Oxidation</topic><topic>Perovskites</topic><topic>Perowskite</topic><topic>Phasenübergänge</topic><topic>Reduction</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Huang, Zixin</creatorcontrib><creatorcontrib>Auckett, Josie E.</creatorcontrib><creatorcontrib>Blanchard, Peter E. R.</creatorcontrib><creatorcontrib>Kennedy, Brendan J.</creatorcontrib><creatorcontrib>Miiller, Wojciech</creatorcontrib><creatorcontrib>Zhou, Qingdi</creatorcontrib><creatorcontrib>Avdeev, Maxim</creatorcontrib><creatorcontrib>Johnson, Mark R.</creatorcontrib><creatorcontrib>Zbiri, Mohamed</creatorcontrib><creatorcontrib>Garbarino, Gaston</creatorcontrib><creatorcontrib>Marshall, William G.</creatorcontrib><creatorcontrib>Gu, Qinfen</creatorcontrib><creatorcontrib>Ling, Chris D.</creatorcontrib><collection>Istex</collection><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><jtitle>Angewandte Chemie</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Huang, Zixin</au><au>Auckett, Josie E.</au><au>Blanchard, Peter E. R.</au><au>Kennedy, Brendan J.</au><au>Miiller, Wojciech</au><au>Zhou, Qingdi</au><au>Avdeev, Maxim</au><au>Johnson, Mark R.</au><au>Zbiri, Mohamed</au><au>Garbarino, Gaston</au><au>Marshall, William G.</au><au>Gu, Qinfen</au><au>Ling, Chris D.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Pressure-Induced Intersite BiM (M=Ru, Ir) Valence Transitions in Hexagonal Perovskites</atitle><jtitle>Angewandte Chemie</jtitle><addtitle>Angew. Chem</addtitle><date>2014-03-24</date><risdate>2014</risdate><volume>126</volume><issue>13</issue><spage>3482</spage><epage>3485</epage><pages>3482-3485</pages><issn>0044-8249</issn><eissn>1521-3757</eissn><abstract>Pressure‐induced charge transfer from Bi to Ir/Ru is observed in the hexagonal perovskites Ba3+nBiM2+nO9+3n (n=0,1; M=Ir,Ru). These compounds show first‐order, circa 1 % volume contractions at room temperature above 5 GPa, which are due to the large reduction in the effective ionic radius of Bi when the 6s shell is emptied on oxidation, compared to the relatively negligible effect of reduction on the radii of Ir or Ru. They are the first such transitions involving 4d and 5d compounds, and they double the total number of cases known. Ab initio calculations suggest that magnetic interactions through very short (ca. 2.6 Å) MM bonds contribute to the finely balanced nature of their electronic states.
Der druckinduzierte Ladungstransfer von einem Element auf das andere in drei hexagonalen Perowskiten liefert das erste Beispiel für derartige Prozesse mit 4d‐ oder 5d‐Metallen. Elektronen können aus der 6s‐Schale von Bi „herausgepresst“ und von den 4d‐ oder 5d‐Schalen von Ru/Ir aufgenommen werden. Die damit einhergehende Volumenverringerung um 1 % ist oberhalb 5 GPa von Vorteil.</abstract><cop>Weinheim</cop><pub>WILEY-VCH Verlag</pub><doi>10.1002/ange.201311159</doi><tpages>4</tpages></addata></record> |
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| subjects | Ab-initio-Rechnungen Balancing Charge transfer Electron states Hochdruckchemie Ladungstransfer Mathematical analysis Oxidation Perovskites Perowskite Phasenübergänge Reduction |
| title | Pressure-Induced Intersite BiM (M=Ru, Ir) Valence Transitions in Hexagonal Perovskites |
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