{"id":30487,"date":"2004-04-06T00:00:00","date_gmt":"2004-04-06T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/modelos-ab-initio-en-el-estudio-de-propiedades-electronicas-de-cupratos-superconductores-y-manganitas\/"},"modified":"2004-04-06T00:00:00","modified_gmt":"2004-04-06T00:00:00","slug":"modelos-ab-initio-en-el-estudio-de-propiedades-electronicas-de-cupratos-superconductores-y-manganitas","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/barcelona\/modelos-ab-initio-en-el-estudio-de-propiedades-electronicas-de-cupratos-superconductores-y-manganitas\/","title":{"rendered":"Modelos ab initio en el estudio de propiedades electr\u00f3nicas de cupratos superconductores y manganitas"},"content":{"rendered":"<h2>Tesis doctoral de <strong> David Mu\u00f1oz Ramo <\/strong><\/h2>\n<p>Mediante el uso de m\u00e9todos de c\u00e1lculo ab initio de gran precisi\u00f3n se ha realizado el estudio de la estructura electr\u00f3nica y propiedades magn\u00e9ticas de una serie de \u00f3xidos de metales de transici\u00f3n con propiedades de inter\u00e9s te\u00f3rico y t\u00e9cnico. Los compuestos estudiados son una serie de cupratos precursores de superconductores de elevada temperatura cr\u00edtica y un representante de la familia de manganitas de lantano y calcio, el compuesto lamno3.  en primer lugar se ha procedido al c\u00e1lculo de los par\u00e1metros t y j del hamilotniano t-j que describe la estructura electr\u00f3nica de los cupratos superconductores.  Se han utilizado para ello m\u00e9todos de c\u00e1culo que tienen en cuenta de manera precisa la correlaci\u00f3n electr\u00f3nica, aplic\u00e1ndolos sobre modelos peri\u00f3dicos o modelos locales de cl\u00faster. Se han examinado los resultados obtenidos mediante diferentes m\u00e9todos y bases en comparaci\u00f3n con los datos experimentales, y se ha establecido una relaci\u00f3n de tipo lineal entre el cociente j\/t en los cupratos m\u00e1s sencillos y la temperatura cr\u00edtica de superconductividad. Se ha observado que el potencial de madelung en el \u00e1tomo  de cobre, el cual tiene un papel importante en el valor de estos par\u00e1metros, muestran tambi\u00e9n una correlaci\u00f3n lineal que permite establecer un m\u00e9todo para predecir de manera sencilla la influencia de las distorsiones de la estructura cristalina en la temperatura cr\u00edtica. Adem\u00e1s, se han establecido barras de error para los diferentes m\u00e9todos utilizados en el estudio de j.  a continuaci\u00f3n se ha realizado un estudio de la estructura electr\u00f3nica del compuesto lamno3 en el marco de la aproximaci\u00f3n peri\u00f3dica mediante el m\u00e9todo uhf y diferentes funcionales h\u00edbridos dft. Los resultados obtenidos indican que estos m\u00e9todos describen correctamente de manera cualitativa el estado fundamental de este compuesto, as\u00ed como su car\u00e1cter aislante y la naturaleza de los estados cerca del sistema muestra que en todos los<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Modelos ab initio en el estudio de propiedades electr\u00f3nicas de cupratos superconductores y manganitas<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Modelos ab initio en el estudio de propiedades electr\u00f3nicas de cupratos superconductores y manganitas <\/li>\n<li><strong>Autor:<\/strong>\u00a0 David Mu\u00f1oz Ramo <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Barcelona<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 04\/06\/2004<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n<h3>Direcci\u00f3n y tribunal<\/h3>\n<ul>\n<li><strong>Director de la tesis<\/strong>\n<ul>\n<li>Francesc Illas Riera<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: rosa Baballol lorenzo <\/li>\n<li>josep Fontcuberta gri\u00f1\u00f3 (vocal)<\/li>\n<li>nicholas m. Harrison (vocal)<\/li>\n<li>Javier Fern\u00e1ndez  sanz (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de David Mu\u00f1oz Ramo Mediante el uso de m\u00e9todos de c\u00e1lculo ab initio de gran precisi\u00f3n se ha [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"site-sidebar-layout":"default","site-content-layout":"","ast-site-content-layout":"","site-content-style":"default","site-sidebar-style":"default","ast-global-header-display":"","ast-banner-title-visibility":"","ast-main-header-display":"","ast-hfb-above-header-display":"","ast-hfb-below-header-display":"","ast-hfb-mobile-header-display":"","site-post-title":"","ast-breadcrumbs-content":"","ast-featured-img":"","footer-sml-layout":"","theme-transparent-header-meta":"","adv-header-id-meta":"","stick-header-meta":"","header-above-stick-meta":"","header-main-stick-meta":"","header-below-stick-meta":"","astra-migrate-meta-layouts":"default","ast-page-background-enabled":"default","ast-page-background-meta":{"desktop":{"background-color":"var(--ast-global-color-4)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"tablet":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"mobile":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""}},"ast-content-background-meta":{"desktop":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"tablet":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"mobile":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""}},"footnotes":""},"categories":[951,1007,1117,5437,11599],"tags":[85640,1274,1278,21538,85642,85641],"class_list":["post-30487","post","type-post","status-publish","format-standard","hentry","category-barcelona","category-propiedades-magneticas-de-los-solidos","category-quimica-del-estado-solido","category-superconductores","category-teoria-cuantica","tag-david-munoz-ramo","tag-francesc-illas-riera","tag-javier-fernandez-sanz","tag-josep-fontcuberta-grino","tag-nicholas-m-harrison","tag-rosa-baballol-lorenzo"],"_links":{"self":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/30487","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/comments?post=30487"}],"version-history":[{"count":0,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/30487\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/media?parent=30487"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/categories?post=30487"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/tags?post=30487"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}