{"id":11040,"date":"2024-10-24T09:40:43","date_gmt":"2024-10-24T07:40:43","guid":{"rendered":"https:\/\/fermi.univ-tlse3.fr\/?post_type=tribe_events&#038;p=11040"},"modified":"2024-10-24T13:17:39","modified_gmt":"2024-10-24T11:17:39","slug":"vers-une-description-precise-des-materiaux-spin-orbite-fortement-correles-des-modeles-aux-premiers-calculs-layered-dmft-pour-ba2iro4-sr2iro4-et-ba2rho4-leo-gaspard-lcpq-thesis-24-10-2024","status":"publish","type":"tribe_events","link":"https:\/\/fermi.univ-tlse3.fr\/fr\/home\/event\/vers-une-description-precise-des-materiaux-spin-orbite-fortement-correles-des-modeles-aux-premiers-calculs-layered-dmft-pour-ba2iro4-sr2iro4-et-ba2rho4-leo-gaspard-lcpq-thesis-24-10-2024\/","title":{"rendered":"Vers une description pr\u00e9cise des mat\u00e9riaux spin-orbite fortement corr\u00e9l\u00e9s: des mod\u00e8les aux premiers calculs layered-dmft pour ba2iro4, sr2iro4 et ba2rho4. &#8211; (L\u00e9o Gaspard \/ LCPQ \/ Thesis). &#8211; 24\/10\/2024, 14H"},"content":{"rendered":"<p><span style=\"font-size: 20px; background-color: #f18500;\">Soutenance de th\u00e8se<\/span><\/p>\n<p><strong><span style=\"font-size: 20px; color: #191970;\">L\u00e9o Gaspard, <\/span><\/strong>LCPQ, Salle de Conf\u00e9rence FeRMI 3R4<\/p>\n<p><span style=\"font-size: 20px;\"><strong>Abstract:<\/strong><\/span><br \/>\nThe interest in spin-orbit correlated materials dates back to 1994 when Strontium Ruthenate Sr2RuO4 was shown to exhibit a superconductive behavior. This discovery reignited the interest of the scientific community toward Ruthenates, but also toward Iridates which share a similar crystallographic structure. Moreover, in the valence bands of Iridates, the bandwidth, the Coulomb interaction and the spin-orbit interaction are all within the same order of magnitude, forcing their theoretical studies to consider these three effects on an equal footing. In this thesis, we study the electronic structure of Ba2IrO4, Sr2IrO4 and Ba2RhO4 . We carefully examine the parametrization and  of the models that describe their low-energy spectrum and their resolution using Dynamical Mean Field Theory (DMFT).<br \/>\nWe first present a downfolding procedure that allows to build physically relevant models for correlated materials and apply it to the aforementioned materials. We then perform the first five-band DMFT calculations on these materials, showing that the effect of the correlation on the eg bands of these systems is simply a Hartree shift. Finally, we devise a new method that we call layered-DMFT (L-DMFT), which allows to split the correlated space of the five-band model in a part that we treat with a high-precision method and a part that is treated at the mean-field level. We show that this new method yields qualitatively and quantitatively the same results as the complete DMFT method, while making the calculations up to a hundred times faster.<\/p>\n<hr \/>\n<p class=\"western\"><code class=\"western\"><div class=\"leaflet-map WPLeafletMap\" style=\"height:300px; width:70%;\"><\/div><script>\nwindow.WPLeafletMapPlugin = window.WPLeafletMapPlugin || [];\nwindow.WPLeafletMapPlugin.push(function WPLeafletMapShortcode() {\/*<script>*\/\nvar baseUrl = atob('aHR0cHM6Ly97c30udGlsZS5vcGVuc3RyZWV0bWFwLm9yZy97en0ve3h9L3t5fS5wbmc=');\nvar base = (!baseUrl && window.MQ) ?\n    window.MQ.mapLayer() : L.tileLayer(baseUrl,\n        L.Util.extend({}, {\n            detectRetina: 0,\n        },\n        {\"subdomains\":\"abc\",\"noWrap\":false,\"maxZoom\":18}        )\n    );\n    var options = L.Util.extend({}, {\n        layers: [base],\n        attributionControl: false\n    },\n    {\"zoomControl\":true,\"scrollWheelZoom\":true,\"doubleClickZoom\":true,\"fitBounds\":true,\"minZoom\":9,\"maxZoom\":18,\"maxBounds\":null,\"attribution\":\"<a href=\\\"http:\\\/\\\/leafletjs.com\\\" title=\\\"Une biblioth\\u00e8que JS pour des cartes interactives\\\">Leaflet<\\\/a>; \\u00a9 <a href=\\\"http:\\\/\\\/www.openstreetmap.org\\\/copyright\\\">OpenStreetMap<\\\/a> contributeurs\"},\n    {});\nwindow.WPLeafletMapPlugin.createMap(options).setView([43.560830727361,1.4672373725804],16);window.WPLeafletMapPlugin.createScale({});});<\/script><\/code><\/p>\n<p class=\"western\"><code class=\"western\"><script>\nwindow.WPLeafletMapPlugin = window.WPLeafletMapPlugin || [];\nwindow.WPLeafletMapPlugin.push(function WPLeafletMarkerShortcode() {\/*<script>*\/\nvar map = window.WPLeafletMapPlugin.getCurrentMap();\nvar group = window.WPLeafletMapPlugin.getCurrentGroup();\nvar marker_options = window.WPLeafletMapPlugin.getIconOptions({});\nvar marker = L.marker(\n    [0,0],\n    marker_options\n);\nvar is_image = map.is_image_map;\n    marker.setLatLng( map.getCenter() );\nif (marker_options.draggable) {\n    marker.on('dragend', function () {\n        var latlng = this.getLatLng();\n        var lat = latlng.lat;\n        var lng = latlng.lng;\n        if (is_image) {\n            console.log('leaflet-marker y=' + lat + ' x=' + lng);\n        } else {\n            console.log('leaflet-marker lat=' + lat + ' lng=' + lng);\n        }\n    });\n}\nmarker.addTo( group );\nmarker.bindPopup(window.WPLeafletMapPlugin.unescape('&lt;strong class=&quot;&quot;&gt;Salle de conf\u00e9rence &lt;\/strong&gt;(- B\u00e2timent 3R4)'));window.WPLeafletMapPlugin.markers.push( marker );\n        });<\/script><\/code><\/p>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Lieu : Salle de Conf\u00e9rence FeRMI 3R4<\/p>\n","protected":false},"author":5,"featured_media":0,"template":"","meta":{"neve_meta_sidebar":"","neve_meta_container":"","neve_meta_enable_content_width":"","neve_meta_content_width":0,"neve_meta_title_alignment":"","neve_meta_author_avatar":"","neve_post_elements_order":"","neve_meta_disable_header":"","neve_meta_disable_footer":"","neve_meta_disable_title":"","neve_meta_reading_time":"","_tribe_events_status":"","_tribe_events_status_reason":"","footnotes":""},"tags":[],"tribe_events_cat":[48,308,310],"class_list":["post-11040","tribe_events","type-tribe_events","status-publish","hentry","tribe_events_cat-events","tribe_events_cat-hdr-thesis","tribe_events_cat-lcpq","cat_events","cat_hdr-thesis","cat_lcpq"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v28.5 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>Vers une description pr\u00e9cise des mat\u00e9riaux spin-orbite fortement corr\u00e9l\u00e9s: des mod\u00e8les aux premiers calculs layered-dmft pour ba2iro4, sr2iro4 et ba2rho4. - (L\u00e9o Gaspard \/ LCPQ \/ Thesis). - 24\/10\/2024, 14H - FeRMI<\/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:\/\/fermi.univ-tlse3.fr\/fr\/home\/event\/vers-une-description-precise-des-materiaux-spin-orbite-fortement-correles-des-modeles-aux-premiers-calculs-layered-dmft-pour-ba2iro4-sr2iro4-et-ba2rho4-leo-gaspard-lcpq-thesis-24-10-2024\/\" \/>\n<meta property=\"og:locale\" content=\"fr_FR\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Vers une description pr\u00e9cise des mat\u00e9riaux spin-orbite fortement corr\u00e9l\u00e9s: des mod\u00e8les aux premiers calculs layered-dmft pour ba2iro4, sr2iro4 et ba2rho4. - (L\u00e9o Gaspard \/ LCPQ \/ Thesis). - 24\/10\/2024, 14H - FeRMI\" \/>\n<meta property=\"og:description\" content=\"Lieu : Salle de Conf\u00e9rence FeRMI 3R4\" \/>\n<meta property=\"og:url\" content=\"https:\/\/fermi.univ-tlse3.fr\/fr\/home\/event\/vers-une-description-precise-des-materiaux-spin-orbite-fortement-correles-des-modeles-aux-premiers-calculs-layered-dmft-pour-ba2iro4-sr2iro4-et-ba2rho4-leo-gaspard-lcpq-thesis-24-10-2024\/\" \/>\n<meta property=\"og:site_name\" content=\"FeRMI\" \/>\n<meta property=\"article:modified_time\" content=\"2024-10-24T11:17:39+00:00\" \/>\n<meta name=\"twitter:card\" content=\"summary_large_image\" \/>\n<meta name=\"twitter:label1\" content=\"Dur\u00e9e de lecture estim\u00e9e\" \/>\n\t<meta name=\"twitter:data1\" content=\"2 minutes\" \/>\n<script type=\"application\/ld+json\" class=\"yoast-schema-graph\">{\"@context\":\"https:\\\/\\\/schema.org\",\"@graph\":[{\"@type\":\"WebPage\",\"@id\":\"https:\\\/\\\/fermi.univ-tlse3.fr\\\/fr\\\/home\\\/event\\\/vers-une-description-precise-des-materiaux-spin-orbite-fortement-correles-des-modeles-aux-premiers-calculs-layered-dmft-pour-ba2iro4-sr2iro4-et-ba2rho4-leo-gaspard-lcpq-thesis-24-10-2024\\\/\",\"url\":\"https:\\\/\\\/fermi.univ-tlse3.fr\\\/fr\\\/home\\\/event\\\/vers-une-description-precise-des-materiaux-spin-orbite-fortement-correles-des-modeles-aux-premiers-calculs-layered-dmft-pour-ba2iro4-sr2iro4-et-ba2rho4-leo-gaspard-lcpq-thesis-24-10-2024\\\/\",\"name\":\"Vers une description pr\u00e9cise des mat\u00e9riaux spin-orbite fortement corr\u00e9l\u00e9s: des mod\u00e8les aux premiers calculs layered-dmft pour ba2iro4, sr2iro4 et ba2rho4. - (L\u00e9o Gaspard \\\/ LCPQ \\\/ Thesis). - 24\\\/10\\\/2024, 14H - FeRMI\",\"isPartOf\":{\"@id\":\"https:\\\/\\\/fermi.univ-tlse3.fr\\\/fr\\\/home\\\/#website\"},\"datePublished\":\"2024-10-24T07:40:43+00:00\",\"dateModified\":\"2024-10-24T11:17:39+00:00\",\"breadcrumb\":{\"@id\":\"https:\\\/\\\/fermi.univ-tlse3.fr\\\/fr\\\/home\\\/event\\\/vers-une-description-precise-des-materiaux-spin-orbite-fortement-correles-des-modeles-aux-premiers-calculs-layered-dmft-pour-ba2iro4-sr2iro4-et-ba2rho4-leo-gaspard-lcpq-thesis-24-10-2024\\\/#breadcrumb\"},\"inLanguage\":\"fr-FR\",\"potentialAction\":[{\"@type\":\"ReadAction\",\"target\":[\"https:\\\/\\\/fermi.univ-tlse3.fr\\\/fr\\\/home\\\/event\\\/vers-une-description-precise-des-materiaux-spin-orbite-fortement-correles-des-modeles-aux-premiers-calculs-layered-dmft-pour-ba2iro4-sr2iro4-et-ba2rho4-leo-gaspard-lcpq-thesis-24-10-2024\\\/\"]}]},{\"@type\":\"BreadcrumbList\",\"@id\":\"https:\\\/\\\/fermi.univ-tlse3.fr\\\/fr\\\/home\\\/event\\\/vers-une-description-precise-des-materiaux-spin-orbite-fortement-correles-des-modeles-aux-premiers-calculs-layered-dmft-pour-ba2iro4-sr2iro4-et-ba2rho4-leo-gaspard-lcpq-thesis-24-10-2024\\\/#breadcrumb\",\"itemListElement\":[{\"@type\":\"ListItem\",\"position\":1,\"name\":\"Events\",\"item\":\"https:\\\/\\\/fermi.univ-tlse3.fr\\\/fr\\\/home\\\/events\\\/\"},{\"@type\":\"ListItem\",\"position\":2,\"name\":\"Vers une description pr\u00e9cise des mat\u00e9riaux spin-orbite fortement corr\u00e9l\u00e9s: des mod\u00e8les aux premiers calculs layered-dmft pour ba2iro4, sr2iro4 et ba2rho4. &#8211; (L\u00e9o Gaspard \\\/ LCPQ \\\/ Thesis). &#8211; 24\\\/10\\\/2024, 14H\"}]},{\"@type\":\"WebSite\",\"@id\":\"https:\\\/\\\/fermi.univ-tlse3.fr\\\/fr\\\/home\\\/#website\",\"url\":\"https:\\\/\\\/fermi.univ-tlse3.fr\\\/fr\\\/home\\\/\",\"name\":\"FeRMI\",\"description\":\"F\u00e9d\u00e9ration de Recherche Mati\u00e8re et Interactions\",\"publisher\":{\"@id\":\"https:\\\/\\\/fermi.univ-tlse3.fr\\\/fr\\\/home\\\/#organization\"},\"potentialAction\":[{\"@type\":\"SearchAction\",\"target\":{\"@type\":\"EntryPoint\",\"urlTemplate\":\"https:\\\/\\\/fermi.univ-tlse3.fr\\\/fr\\\/home\\\/?s={search_term_string}\"},\"query-input\":{\"@type\":\"PropertyValueSpecification\",\"valueRequired\":true,\"valueName\":\"search_term_string\"}}],\"inLanguage\":\"fr-FR\"},{\"@type\":\"Organization\",\"@id\":\"https:\\\/\\\/fermi.univ-tlse3.fr\\\/fr\\\/home\\\/#organization\",\"name\":\"FeRMI\",\"url\":\"https:\\\/\\\/fermi.univ-tlse3.fr\\\/fr\\\/home\\\/\",\"logo\":{\"@type\":\"ImageObject\",\"inLanguage\":\"fr-FR\",\"@id\":\"https:\\\/\\\/fermi.univ-tlse3.fr\\\/fr\\\/home\\\/#\\\/schema\\\/logo\\\/image\\\/\",\"url\":\"https:\\\/\\\/fermi.univ-tlse3.fr\\\/wp-content\\\/uploads\\\/2021\\\/09\\\/Logo_FERMI_web_bandeau350x131_blanc.png\",\"contentUrl\":\"https:\\\/\\\/fermi.univ-tlse3.fr\\\/wp-content\\\/uploads\\\/2021\\\/09\\\/Logo_FERMI_web_bandeau350x131_blanc.png\",\"width\":350,\"height\":131,\"caption\":\"FeRMI\"},\"image\":{\"@id\":\"https:\\\/\\\/fermi.univ-tlse3.fr\\\/fr\\\/home\\\/#\\\/schema\\\/logo\\\/image\\\/\"}}]}<\/script>\n<!-- \/ Yoast SEO plugin. -->","yoast_head_json":{"title":"Vers une description pr\u00e9cise des mat\u00e9riaux spin-orbite fortement corr\u00e9l\u00e9s: des mod\u00e8les aux premiers calculs layered-dmft pour ba2iro4, sr2iro4 et ba2rho4. - (L\u00e9o Gaspard \/ LCPQ \/ Thesis). - 24\/10\/2024, 14H - FeRMI","robots":{"index":"index","follow":"follow","max-snippet":"max-snippet:-1","max-image-preview":"max-image-preview:large","max-video-preview":"max-video-preview:-1"},"canonical":"https:\/\/fermi.univ-tlse3.fr\/fr\/home\/event\/vers-une-description-precise-des-materiaux-spin-orbite-fortement-correles-des-modeles-aux-premiers-calculs-layered-dmft-pour-ba2iro4-sr2iro4-et-ba2rho4-leo-gaspard-lcpq-thesis-24-10-2024\/","og_locale":"fr_FR","og_type":"article","og_title":"Vers une description pr\u00e9cise des mat\u00e9riaux spin-orbite fortement corr\u00e9l\u00e9s: des mod\u00e8les aux premiers calculs layered-dmft pour ba2iro4, sr2iro4 et ba2rho4. - (L\u00e9o Gaspard \/ LCPQ \/ Thesis). - 24\/10\/2024, 14H - FeRMI","og_description":"Lieu : Salle de Conf\u00e9rence FeRMI 3R4","og_url":"https:\/\/fermi.univ-tlse3.fr\/fr\/home\/event\/vers-une-description-precise-des-materiaux-spin-orbite-fortement-correles-des-modeles-aux-premiers-calculs-layered-dmft-pour-ba2iro4-sr2iro4-et-ba2rho4-leo-gaspard-lcpq-thesis-24-10-2024\/","og_site_name":"FeRMI","article_modified_time":"2024-10-24T11:17:39+00:00","twitter_card":"summary_large_image","twitter_misc":{"Dur\u00e9e de lecture estim\u00e9e":"2 minutes"},"schema":{"@context":"https:\/\/schema.org","@graph":[{"@type":"WebPage","@id":"https:\/\/fermi.univ-tlse3.fr\/fr\/home\/event\/vers-une-description-precise-des-materiaux-spin-orbite-fortement-correles-des-modeles-aux-premiers-calculs-layered-dmft-pour-ba2iro4-sr2iro4-et-ba2rho4-leo-gaspard-lcpq-thesis-24-10-2024\/","url":"https:\/\/fermi.univ-tlse3.fr\/fr\/home\/event\/vers-une-description-precise-des-materiaux-spin-orbite-fortement-correles-des-modeles-aux-premiers-calculs-layered-dmft-pour-ba2iro4-sr2iro4-et-ba2rho4-leo-gaspard-lcpq-thesis-24-10-2024\/","name":"Vers une description pr\u00e9cise des mat\u00e9riaux spin-orbite fortement corr\u00e9l\u00e9s: des mod\u00e8les aux premiers calculs layered-dmft pour ba2iro4, sr2iro4 et ba2rho4. - (L\u00e9o Gaspard \/ LCPQ \/ Thesis). - 24\/10\/2024, 14H - FeRMI","isPartOf":{"@id":"https:\/\/fermi.univ-tlse3.fr\/fr\/home\/#website"},"datePublished":"2024-10-24T07:40:43+00:00","dateModified":"2024-10-24T11:17:39+00:00","breadcrumb":{"@id":"https:\/\/fermi.univ-tlse3.fr\/fr\/home\/event\/vers-une-description-precise-des-materiaux-spin-orbite-fortement-correles-des-modeles-aux-premiers-calculs-layered-dmft-pour-ba2iro4-sr2iro4-et-ba2rho4-leo-gaspard-lcpq-thesis-24-10-2024\/#breadcrumb"},"inLanguage":"fr-FR","potentialAction":[{"@type":"ReadAction","target":["https:\/\/fermi.univ-tlse3.fr\/fr\/home\/event\/vers-une-description-precise-des-materiaux-spin-orbite-fortement-correles-des-modeles-aux-premiers-calculs-layered-dmft-pour-ba2iro4-sr2iro4-et-ba2rho4-leo-gaspard-lcpq-thesis-24-10-2024\/"]}]},{"@type":"BreadcrumbList","@id":"https:\/\/fermi.univ-tlse3.fr\/fr\/home\/event\/vers-une-description-precise-des-materiaux-spin-orbite-fortement-correles-des-modeles-aux-premiers-calculs-layered-dmft-pour-ba2iro4-sr2iro4-et-ba2rho4-leo-gaspard-lcpq-thesis-24-10-2024\/#breadcrumb","itemListElement":[{"@type":"ListItem","position":1,"name":"Events","item":"https:\/\/fermi.univ-tlse3.fr\/fr\/home\/events\/"},{"@type":"ListItem","position":2,"name":"Vers une description pr\u00e9cise des mat\u00e9riaux spin-orbite fortement corr\u00e9l\u00e9s: des mod\u00e8les aux premiers calculs layered-dmft pour ba2iro4, sr2iro4 et ba2rho4. &#8211; (L\u00e9o Gaspard \/ LCPQ \/ Thesis). &#8211; 24\/10\/2024, 14H"}]},{"@type":"WebSite","@id":"https:\/\/fermi.univ-tlse3.fr\/fr\/home\/#website","url":"https:\/\/fermi.univ-tlse3.fr\/fr\/home\/","name":"FeRMI","description":"F\u00e9d\u00e9ration de Recherche Mati\u00e8re et Interactions","publisher":{"@id":"https:\/\/fermi.univ-tlse3.fr\/fr\/home\/#organization"},"potentialAction":[{"@type":"SearchAction","target":{"@type":"EntryPoint","urlTemplate":"https:\/\/fermi.univ-tlse3.fr\/fr\/home\/?s={search_term_string}"},"query-input":{"@type":"PropertyValueSpecification","valueRequired":true,"valueName":"search_term_string"}}],"inLanguage":"fr-FR"},{"@type":"Organization","@id":"https:\/\/fermi.univ-tlse3.fr\/fr\/home\/#organization","name":"FeRMI","url":"https:\/\/fermi.univ-tlse3.fr\/fr\/home\/","logo":{"@type":"ImageObject","inLanguage":"fr-FR","@id":"https:\/\/fermi.univ-tlse3.fr\/fr\/home\/#\/schema\/logo\/image\/","url":"https:\/\/fermi.univ-tlse3.fr\/wp-content\/uploads\/2021\/09\/Logo_FERMI_web_bandeau350x131_blanc.png","contentUrl":"https:\/\/fermi.univ-tlse3.fr\/wp-content\/uploads\/2021\/09\/Logo_FERMI_web_bandeau350x131_blanc.png","width":350,"height":131,"caption":"FeRMI"},"image":{"@id":"https:\/\/fermi.univ-tlse3.fr\/fr\/home\/#\/schema\/logo\/image\/"}}]}},"_links":{"self":[{"href":"https:\/\/fermi.univ-tlse3.fr\/fr\/home\/wp-json\/wp\/v2\/tribe_events\/11040","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/fermi.univ-tlse3.fr\/fr\/home\/wp-json\/wp\/v2\/tribe_events"}],"about":[{"href":"https:\/\/fermi.univ-tlse3.fr\/fr\/home\/wp-json\/wp\/v2\/types\/tribe_events"}],"author":[{"embeddable":true,"href":"https:\/\/fermi.univ-tlse3.fr\/fr\/home\/wp-json\/wp\/v2\/users\/5"}],"version-history":[{"count":4,"href":"https:\/\/fermi.univ-tlse3.fr\/fr\/home\/wp-json\/wp\/v2\/tribe_events\/11040\/revisions"}],"predecessor-version":[{"id":11047,"href":"https:\/\/fermi.univ-tlse3.fr\/fr\/home\/wp-json\/wp\/v2\/tribe_events\/11040\/revisions\/11047"}],"wp:attachment":[{"href":"https:\/\/fermi.univ-tlse3.fr\/fr\/home\/wp-json\/wp\/v2\/media?parent=11040"}],"wp:term":[{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/fermi.univ-tlse3.fr\/fr\/home\/wp-json\/wp\/v2\/tags?post=11040"},{"taxonomy":"tribe_events_cat","embeddable":true,"href":"https:\/\/fermi.univ-tlse3.fr\/fr\/home\/wp-json\/wp\/v2\/tribe_events_cat?post=11040"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}