Testing the validity of the strong spin-orbit-coupling limit for octahedrally coordinated iridate compounds in a model system Sr3CuIrO6
The electronic structure of Sr3CuIrO6, a model system for the 5d Ir ion in an octahedral environment, is studied through a combination of resonant inelastic x-ray scattering and theoretical calculations. Resonant inelastic x-ray scattering spectra at the Ir L3 edge reveal an Ir t(2g) manifold that i...
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| Veröffentlicht in: | Physical review letters 2012-10, Vol.109 (15), p.157401-157401 |
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| container_title | Physical review letters |
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| creator | Liu, X Katukuri, Vamshi M Hozoi, L Yin, Wei-Guo Dean, M P M Upton, M H Kim, Jungho Casa, D Said, A Gog, T Qi, T F Cao, G Tsvelik, A M van den Brink, Jeroen Hill, J P |
| description | The electronic structure of Sr3CuIrO6, a model system for the 5d Ir ion in an octahedral environment, is studied through a combination of resonant inelastic x-ray scattering and theoretical calculations. Resonant inelastic x-ray scattering spectra at the Ir L3 edge reveal an Ir t(2g) manifold that is split into three levels, in contrast to the expectations of the strong spin-orbit-coupling limit. Effective Hamiltonian and ab inito quantum chemistry calculations find a strikingly large noncubic crystal field splitting comparable to the spin-orbit coupling, which results in a strong mixing of the j(eff)=1/2 and j(eff)=3/2 states and modifies the isotropic wave functions on which many theoretical models are based. |
| doi_str_mv | 10.1103/PhysRevLett.109.157401 |
| format | Article |
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Effective Hamiltonian and ab inito quantum chemistry calculations find a strikingly large noncubic crystal field splitting comparable to the spin-orbit coupling, which results in a strong mixing of the j(eff)=1/2 and j(eff)=3/2 states and modifies the isotropic wave functions on which many theoretical models are based.</description><subject>75</subject><subject>iridate compounds</subject><subject>Mott physics</subject><subject>sping-orbit-coupling</subject><issn>0031-9007</issn><issn>1079-7114</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2012</creationdate><recordtype>article</recordtype><recordid>eNo1kM9u1DAQxi1E1W5LX6GyOHHJ4rETOzmiFYVKKxWVco4ce8IaOXGwnUp5Al4bQ9vDaP79ZqTvI-QG2B6AiY_fTlt6wKcj5rwH1u2hUTWDN2QHTHWVAqjfkh1jAqqOMXVBLlP6xRgDLttzcsEFMC6k3JE_j5iym3_SfEL6pL2zLm80jP_7lGMoq7S4uQpxcLkyYV38P9y7yWU6hkiDyfqENmrvN2pCiNbNOqOlLjpbijKblrDONlE3U02nYNHTtKWME_0exWG9i_fyHTkbtU94_ZKvyI_bz4-Hr9Xx_svd4dOxCiDbXElu-KC5UpKNfBhrMKph0DYoW2nb0bQaOgWswWJG0ViLzgz10BkQtmMjSnFF3j__DUV2n4zLaE4mzDOa3JfDTjVNgT48Q0sMv9diUD-5ZNB7PWNYUw_AuSyheEFvXtB1mND2S3STjlv_6rD4C7qpgWE</recordid><startdate>20121012</startdate><enddate>20121012</enddate><creator>Liu, X</creator><creator>Katukuri, Vamshi M</creator><creator>Hozoi, L</creator><creator>Yin, Wei-Guo</creator><creator>Dean, M P M</creator><creator>Upton, M H</creator><creator>Kim, Jungho</creator><creator>Casa, D</creator><creator>Said, A</creator><creator>Gog, T</creator><creator>Qi, T F</creator><creator>Cao, G</creator><creator>Tsvelik, A M</creator><creator>van den Brink, Jeroen</creator><creator>Hill, J P</creator><scope>NPM</scope><scope>7X8</scope><scope>OTOTI</scope></search><sort><creationdate>20121012</creationdate><title>Testing the validity of the strong spin-orbit-coupling limit for octahedrally coordinated iridate compounds in a model system Sr3CuIrO6</title><author>Liu, X ; Katukuri, Vamshi M ; Hozoi, L ; Yin, Wei-Guo ; Dean, M P M ; Upton, M H ; Kim, Jungho ; Casa, D ; Said, A ; Gog, T ; Qi, T F ; Cao, G ; Tsvelik, A M ; van den Brink, Jeroen ; Hill, J P</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-o168t-62c2ba27760f2bf41c750185e686d8fc8a197105e401310439cb4b9c13d90fe63</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2012</creationdate><topic>75</topic><topic>iridate compounds</topic><topic>Mott physics</topic><topic>sping-orbit-coupling</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Liu, X</creatorcontrib><creatorcontrib>Katukuri, Vamshi M</creatorcontrib><creatorcontrib>Hozoi, L</creatorcontrib><creatorcontrib>Yin, Wei-Guo</creatorcontrib><creatorcontrib>Dean, M P M</creatorcontrib><creatorcontrib>Upton, M H</creatorcontrib><creatorcontrib>Kim, Jungho</creatorcontrib><creatorcontrib>Casa, D</creatorcontrib><creatorcontrib>Said, A</creatorcontrib><creatorcontrib>Gog, T</creatorcontrib><creatorcontrib>Qi, T F</creatorcontrib><creatorcontrib>Cao, G</creatorcontrib><creatorcontrib>Tsvelik, A M</creatorcontrib><creatorcontrib>van den Brink, Jeroen</creatorcontrib><creatorcontrib>Hill, J P</creatorcontrib><creatorcontrib>BROOKHAVEN NATIONAL LABORATORY (BNL)</creatorcontrib><collection>PubMed</collection><collection>MEDLINE - Academic</collection><collection>OSTI.GOV</collection><jtitle>Physical review letters</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Liu, X</au><au>Katukuri, Vamshi M</au><au>Hozoi, L</au><au>Yin, Wei-Guo</au><au>Dean, M P M</au><au>Upton, M H</au><au>Kim, Jungho</au><au>Casa, D</au><au>Said, A</au><au>Gog, T</au><au>Qi, T F</au><au>Cao, G</au><au>Tsvelik, A M</au><au>van den Brink, Jeroen</au><au>Hill, J P</au><aucorp>BROOKHAVEN NATIONAL LABORATORY (BNL)</aucorp><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Testing the validity of the strong spin-orbit-coupling limit for octahedrally coordinated iridate compounds in a model system Sr3CuIrO6</atitle><jtitle>Physical review letters</jtitle><addtitle>Phys Rev Lett</addtitle><date>2012-10-12</date><risdate>2012</risdate><volume>109</volume><issue>15</issue><spage>157401</spage><epage>157401</epage><pages>157401-157401</pages><issn>0031-9007</issn><eissn>1079-7114</eissn><abstract>The electronic structure of Sr3CuIrO6, a model system for the 5d Ir ion in an octahedral environment, is studied through a combination of resonant inelastic x-ray scattering and theoretical calculations. Resonant inelastic x-ray scattering spectra at the Ir L3 edge reveal an Ir t(2g) manifold that is split into three levels, in contrast to the expectations of the strong spin-orbit-coupling limit. Effective Hamiltonian and ab inito quantum chemistry calculations find a strikingly large noncubic crystal field splitting comparable to the spin-orbit coupling, which results in a strong mixing of the j(eff)=1/2 and j(eff)=3/2 states and modifies the isotropic wave functions on which many theoretical models are based.</abstract><cop>United States</cop><pmid>23102366</pmid><doi>10.1103/PhysRevLett.109.157401</doi><tpages>1</tpages><oa>free_for_read</oa></addata></record> |
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| source | American Physical Society Journals |
| subjects | 75 iridate compounds Mott physics sping-orbit-coupling |
| title | Testing the validity of the strong spin-orbit-coupling limit for octahedrally coordinated iridate compounds in a model system Sr3CuIrO6 |
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