{"id":7836,"date":"2016-02-15T15:01:24","date_gmt":"2016-02-15T15:01:24","guid":{"rendered":"http:\/\/vps468643.ovh.net.s216418.gridserver.com\/?p=7836"},"modified":"2016-02-15T15:02:24","modified_gmt":"2016-02-15T15:02:24","slug":"electronic-orders-in-the-verwey-structure-of-magnetite","status":"publish","type":"post","link":"https:\/\/senngroup.com\/electronic-orders-in-the-verwey-structure-of-magnetite\/","title":{"rendered":"Electronic orders in the Verwey structure of magnetite"},"content":{"rendered":"<p><a href=\"http:\/\/journals.aps.org\/prb\/abstract\/10.1103\/PhysRevB.85.125119\">Mark S. Senn, Ingo Loa, Jon P. Wright, and J. Paul Attfield, Phys. Rev. B 85 (2012), 125119<\/a><\/p>\n<p><em>Electronic structure calculations of the Verwey ground state of magnetite, Fe\u00a03\u00a0\u00a0 O\u00a04\u00a0\u00a0 , using density functional theory with treatment of on-site Coulomb interactions (DFT+U scheme), are reported. These calculations use the recently published experimental crystal structure coordinates for magnetite in the monoclinic space group Cc\u00a0 . The computed density distribution for minority spin electron states close to the Fermi level demonstrates that charge order and Fe\u00a02+\u00a0\u00a0 -orbital order are present at the B\u00a0 -type lattice sites to a first approximation. However, Fe\u00a02+\u00a0\u00a0 \/Fe\u00a03+\u00a0\u00a0 charge differences are diminished through weak bonding interactions of the Fe\u00a02+\u00a0\u00a0 states to specific pairs of neighboring iron sites that create linear, three-B\u00a0 -atom trimeron units that may be regarded as orbital molecules. Trimerons are ordered evenly along most Fe atom chains in the Verwey structure, but more complex interactions are observed within one chain.<\/em><\/p>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Mark S. Senn, Ingo Loa, Jon P. Wright, and J. Paul Attfield, Phys. Rev. B 85 (2012), 125119 Electronic structure calculations of the Verwey ground state of magnetite, Fe\u00a03\u00a0\u00a0 O\u00a04\u00a0\u00a0<br \/><a href=\"https:\/\/senngroup.com\/electronic-orders-in-the-verwey-structure-of-magnetite\/\" class=\"more\">Read more<\/a><\/p>\n","protected":false},"author":2,"featured_media":7837,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_acf_changed":false,"footnotes":"","_links_to":"","_links_to_target":""},"categories":[64],"tags":[],"acf":[],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v22.6 - https:\/\/yoast.com\/wordpress\/plugins\/seo\/ -->\n<title>Electronic orders in the Verwey structure of magnetite - SENN GROUP<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/senngroup.com\/electronic-orders-in-the-verwey-structure-of-magnetite\/\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Electronic orders in the Verwey structure of magnetite - SENN GROUP\" \/>\n<meta property=\"og:description\" content=\"Mark S. Senn, Ingo Loa, Jon P. Wright, and J. Paul Attfield, Phys. Rev. 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Senn, Ingo Loa, Jon P. Wright, and J. Paul Attfield, Phys. Rev. B 85 (2012), 125119 Electronic structure calculations of the Verwey ground state of magnetite, Fe\u00a03\u00a0\u00a0 O\u00a04\u00a0\u00a0Read more","og_url":"https:\/\/senngroup.com\/electronic-orders-in-the-verwey-structure-of-magnetite\/","og_site_name":"SENN GROUP","article_published_time":"2016-02-15T15:01:24+00:00","article_modified_time":"2016-02-15T15:02:24+00:00","og_image":[{"width":2490,"height":1172,"url":"https:\/\/senngroup.com\/wp-content\/uploads\/2016\/02\/PRB2012.png","type":"image\/png"}],"author":"Mark","twitter_card":"summary_large_image","twitter_misc":{"Written by":"Mark","Est. reading time":"1 minute"},"schema":{"@context":"https:\/\/schema.org","@graph":[{"@type":"Article","@id":"https:\/\/senngroup.com\/electronic-orders-in-the-verwey-structure-of-magnetite\/#article","isPartOf":{"@id":"https:\/\/senngroup.com\/electronic-orders-in-the-verwey-structure-of-magnetite\/"},"author":{"name":"Mark","@id":"https:\/\/senngroup.com\/#\/schema\/person\/56efbdd98406e419d0c1fb8d15561eda"},"headline":"Electronic orders in the Verwey structure of magnetite","datePublished":"2016-02-15T15:01:24+00:00","dateModified":"2016-02-15T15:02:24+00:00","mainEntityOfPage":{"@id":"https:\/\/senngroup.com\/electronic-orders-in-the-verwey-structure-of-magnetite\/"},"wordCount":161,"commentCount":0,"publisher":{"@id":"https:\/\/senngroup.com\/#organization"},"image":{"@id":"https:\/\/senngroup.com\/electronic-orders-in-the-verwey-structure-of-magnetite\/#primaryimage"},"thumbnailUrl":"https:\/\/senngroup.com\/wp-content\/uploads\/2016\/02\/PRB2012.png","articleSection":["Publications"],"inLanguage":"en-US"},{"@type":"WebPage","@id":"https:\/\/senngroup.com\/electronic-orders-in-the-verwey-structure-of-magnetite\/","url":"https:\/\/senngroup.com\/electronic-orders-in-the-verwey-structure-of-magnetite\/","name":"Electronic orders in the Verwey structure of magnetite - 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