{"id":2379,"date":"2024-04-11T08:39:25","date_gmt":"2024-04-11T06:39:25","guid":{"rendered":"http:\/\/10.128.3.28\/?page_id=2379"},"modified":"2025-08-29T11:54:22","modified_gmt":"2025-08-29T09:54:22","slug":"proyecto-ab-initio-simulation-of-the-electronic-and-magnetic-properties-in-iridate-based-oxide-heterostructures","status":"publish","type":"page","link":"https:\/\/computaex.es\/en\/proyectos\/proyecto-ab-initio-simulation-of-the-electronic-and-magnetic-properties-in-iridate-based-oxide-heterostructures\/","title":{"rendered":"Ab-initio simulation of the electronic and magnetic properties in iridate-based oxide heterostructures"},"content":{"rendered":"<div class=\"field field-name-field-proy-investigadores field-type-text-long field-label-above\">\n<div class=\"field-label\" style=\"text-align: justify;\"><strong>Researchers:\u00a0<\/strong><\/div>\n<div class=\"field-items\" style=\"text-align: justify;\">\n<div class=\"field-item even\">\n<ul>\n<li>Juan Ignacio Beltr\u00e1n (I.P.).\u00a0<a href=\"https:\/\/www.ucm.es\/\" target=\"_blank\" rel=\"noopener\">Universidad Complutense de Madrid<\/a>.<\/li>\n<\/ul>\n<\/div>\n<\/div>\n<\/div>\n<div class=\"field field-name-field-proy-descripcion field-type-text-long field-label-above\" style=\"text-align: justify;\">\n<div class=\"field-label\"><strong>Description:\u00a0<\/strong><\/div>\n<div class=\"field-items\">\n<div class=\"field-item even\">\n<p>Proyecto asignado a trav\u00e9s de la\u00a0<a href=\"https:\/\/www.res.es\/\">Red Espa\u00f1ola de Supercomputaci\u00f3n<\/a>.<\/p>\n<p>Oxide heterostructure (OH) with spin-orbit-coupling like SrIrO3\/SrTiO3 have the potential to be designed as topological insulators, either band or Mott types. This roots on the properties exhibited by the iridates family of Ruddlesen-Proper series since the members with n=1,2,\u221e are antiferromagnetic (AFM) Mott insulator, AFM band insulator and paramagnetic semimetal phases respectively. There is a number of works relating the RPS properties and thin film configurations of strain and oxygen vacancies which could provide an atomic engineering path towards topological phases and transitions, however the topic is still at its infancy. This project aims to tackle this issue using simulation techniques efficient of providing an experimentally realistic scenario of the quantum mechanisms such as the octahedral distortion and bandwidth in OH.<\/p>\n<\/div>\n<\/div>\n<\/div>","protected":false},"excerpt":{"rendered":"<p>Investigadores:\u00a0 Juan Ignacio Beltr\u00e1n (I.P.).\u00a0Universidad Complutense de Madrid. Descripci\u00f3n:\u00a0 Proyecto asignado a trav\u00e9s de la\u00a0Red Espa\u00f1ola de Supercomputaci\u00f3n. Oxide heterostructure (OH) with spin-orbit-coupling like SrIrO3\/SrTiO3 have the potential to be &#8230;<\/p>","protected":false},"author":1,"featured_media":0,"parent":9950,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"categories":[103,81],"tags":[],"class_list":["post-2379","page","type-page","status-publish","hentry","category-ciencias-de-la-vida","category-proyectos"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.1.1 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>Ab-initio simulation of the electronic and magnetic properties in iridate-based oxide heterostructures - Fundaci\u00f3n COMPUTAEX<\/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:\/\/computaex.es\/en\/proyectos\/proyecto-ab-initio-simulation-of-the-electronic-and-magnetic-properties-in-iridate-based-oxide-heterostructures\/\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Ab-initio simulation of the electronic and magnetic properties in iridate-based oxide heterostructures - Fundaci\u00f3n COMPUTAEX\" \/>\n<meta property=\"og:description\" content=\"Investigadores:\u00a0 Juan Ignacio Beltr\u00e1n (I.P.).\u00a0Universidad Complutense de Madrid. 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