{"id":760,"date":"2018-09-04T18:03:10","date_gmt":"2018-09-04T18:03:10","guid":{"rendered":"http:\/\/girsh.rutgers.edu\/?p=760"},"modified":"2020-07-17T20:38:39","modified_gmt":"2020-07-18T00:38:39","slug":"760","status":"publish","type":"post","link":"https:\/\/girsh.rutgers.edu\/index.php\/2018\/09\/04\/760\/","title":{"rendered":"Covalency-driven collapse of strong spin-orbit coupling in face-sharing iridium octahedra"},"content":{"rendered":"<p><strong>Authors:<\/strong>\u00a0 M.Ye, H.-S.Kim, J.-W.Kim, C.-J.Won, K.Haule, D.Vanderbilt, S.-W.Cheong and G. Blumberg<br \/>\n<strong><br \/>\n<img fetchpriority=\"high\" decoding=\"async\" class=\" wp-image-839 aligncenter\" src=\"http:\/\/girsh.rutgers.edu\/wp-content\/uploads\/2018\/11\/Figure-1-1-300x128.png\" alt=\"Figure 1\" width=\"608\" height=\"259\" srcset=\"https:\/\/girsh.rutgers.edu\/wp-content\/uploads\/2018\/11\/Figure-1-1-300x128.png 300w, https:\/\/girsh.rutgers.edu\/wp-content\/uploads\/2018\/11\/Figure-1-1.png 500w\" sizes=\"(max-width: 608px) 100vw, 608px\" \/><br \/>\nAbstract:\u00a0<\/strong><br \/>\nWe report ab-initio density functional theory calculation and Raman scattering results to explore the electronic structure of Ba<sub>5<\/sub>CuIr<sub>3<\/sub>O<sub>12<\/sub> single crystals. This insulating iridate, consisting of face-sharing IrO<sub>6<\/sub> octahedra forming quasi-one-dimensional chains, cannot be described by the local j<sub>eff<\/sub> = 1\/2 moment picture commonly adopted for discussing electronic and magnetic properties of iridate compounds with IrO6 octahedra. The shorter Ir-Ir distance in the face-sharing geometry, compared to corner- or edge-sharing structures, leads to strong covalency between neighboring Ir. Then this strong covalency results in the formation of molecular orbitals (MO) at each Ir trimers as the low-energy electronic degree of freedom. The theoretically predicted three-peak structure in the joint density of states, a distinct indication of deviation from the j<sub>eff<\/sub> = 1\/2 picture, is verified by observing the three-peak structure in the electronic excitation spectrum by Raman scattering.<\/p>\n<ul>\n<li><em><a href=\"https:\/\/journals.aps.org\/prb\/abstract\/10.1103\/PhysRevB.98.201105\" target=\"_blank\">Read more on Phys Rev B. 98. 201105 (2018)<\/a><\/em><\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Authors:\u00a0 M.Ye, H.-S.Kim, J.-W.Kim, C.-J.Won, K.Haule, D.Vanderbilt, S.-W.Cheong and G. Blumberg Abstract:\u00a0 We report ab-initio density functional theory calculation and Raman scattering results to explore the electronic structure of Ba5CuIr3O12 single crystals. This insulating iridate, consisting of face-sharing IrO6 octahedra forming quasi-one-dimensional chains, cannot be described by the local jeff = 1\/2 moment picture commonly &hellip;<\/p>\n<p class=\"read-more\"> <a class=\"\" href=\"https:\/\/girsh.rutgers.edu\/index.php\/2018\/09\/04\/760\/\"> <span class=\"screen-reader-text\">Covalency-driven collapse of strong spin-orbit coupling in face-sharing iridium octahedra<\/span> Read More &raquo;<\/a><\/p>\n","protected":false},"author":5,"featured_media":0,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[1],"tags":[],"_links":{"self":[{"href":"https:\/\/girsh.rutgers.edu\/index.php\/wp-json\/wp\/v2\/posts\/760"}],"collection":[{"href":"https:\/\/girsh.rutgers.edu\/index.php\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/girsh.rutgers.edu\/index.php\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/girsh.rutgers.edu\/index.php\/wp-json\/wp\/v2\/users\/5"}],"replies":[{"embeddable":true,"href":"https:\/\/girsh.rutgers.edu\/index.php\/wp-json\/wp\/v2\/comments?post=760"}],"version-history":[{"count":13,"href":"https:\/\/girsh.rutgers.edu\/index.php\/wp-json\/wp\/v2\/posts\/760\/revisions"}],"predecessor-version":[{"id":1088,"href":"https:\/\/girsh.rutgers.edu\/index.php\/wp-json\/wp\/v2\/posts\/760\/revisions\/1088"}],"wp:attachment":[{"href":"https:\/\/girsh.rutgers.edu\/index.php\/wp-json\/wp\/v2\/media?parent=760"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/girsh.rutgers.edu\/index.php\/wp-json\/wp\/v2\/categories?post=760"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/girsh.rutgers.edu\/index.php\/wp-json\/wp\/v2\/tags?post=760"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}