{"id":88723,"date":"2001-02-02T00:00:00","date_gmt":"2001-02-02T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/calculos-ab-initio-y-hamiltonianos-efectivos-para-el-estudio-de-materiales-ferroelectricos\/"},"modified":"2001-02-02T00:00:00","modified_gmt":"2001-02-02T00:00:00","slug":"calculos-ab-initio-y-hamiltonianos-efectivos-para-el-estudio-de-materiales-ferroelectricos","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/calculos-ab-initio-y-hamiltonianos-efectivos-para-el-estudio-de-materiales-ferroelectricos\/","title":{"rendered":"Calculos ab initio y hamiltonianos efectivos para el estudio de materiales ferroelectricos"},"content":{"rendered":"<h2>Tesis doctoral de <strong> Jorge I\u00f1iguez Gonzalez <\/strong><\/h2>\n<p>En la primera parte del trabajo se analizan mediante calculos ab initio las inestabilidades estructurales del polimorfo haxogonal del batio3, y se pone de manifiesto que pueden entenderse en terminos de las distorsiones locales de la bien conocida fase perovskita de este compuesto. Se discute a continuacion un formalismo general de contruccion de una bse de modos locales que sirva para representar el subespacio relevante de la dinamica de un sistema mediante un hamiltoniano efectivo.  en la segunda parte se presentan dos ejemplos de aplicaci\u00f3n de estos hamiltonianos efectivos: a la determinacion de la funcion energia libre del batio3, y al dise\u00f1o de aleaciones ferroelectricas con propiedades dielectricas y piezoelectricas optimas.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Calculos ab initio y hamiltonianos efectivos para el estudio de materiales ferroelectricos<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Calculos ab initio y hamiltonianos efectivos para el estudio de materiales ferroelectricos <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Jorge I\u00f1iguez Gonzalez <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Pa\u00eds vasco\/euskal herriko unibertsitatea<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 02\/02\/2001<\/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>Alberto Garcia Arribas<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal:  Gonzalo gonzalez julio Antonio <\/li>\n<li>pablo Ordejon rontome (vocal)<\/li>\n<li>Jos\u00e9 De frutos  vaquerizo (vocal)<\/li>\n<li>philippe Ghosez (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Jorge I\u00f1iguez Gonzalez En la primera parte del trabajo se analizan mediante calculos ab initio las inestabilidades [&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 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