{"id":115725,"date":"2018-03-11T10:44:26","date_gmt":"2018-03-11T10:44:26","guid":{"rendered":""},"modified":"2018-03-11T10:44:26","modified_gmt":"2018-03-11T10:44:26","slug":"computational-study-of-the-phase-transitions-in-families-of-double-perovskite-and-aurivillius-compounds-the-influence-of-the-trilinear-coupling-perovskita-eta-aurivillius-motako-konposatu-familien-fa","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/cambio-de-fase\/computational-study-of-the-phase-transitions-in-families-of-double-perovskite-and-aurivillius-compounds-the-influence-of-the-trilinear-coupling-perovskita-eta-aurivillius-motako-konposatu-familien-fa\/","title":{"rendered":"Computational study of the phase transitions in families of double perovskite and aurivillius compounds: the influence of the trilinear coupling\/perovskita eta aurivillius motako konposatu familien fa"},"content":{"rendered":"<h2>Tesis doctoral de <strong> Urko Petralanda Holguin <\/strong><\/h2>\n<p>En este trabajo se estudian las secuencias de transiciones de fase estructurales de las perovskitas dobles sr2mwo6 (m=ca,zn,mg) y de los compuestos aurivillius srbi2m2o9 (m=ta, nb). Se profundiza en los aspectos microsc\u00f3picos claves para dotar de estabilidad a las fases observadas experimentalmente. En estos mateirales la estructura de baja temperatura solo puede ser explicada por la presencia de varias distorsiones que se transforman seg\u00fan diferentes representaciones irreducibles. En consecuencia, se ha dado especial relevancia al estudio de los acoplamientos entre modos adaptados a la simetr\u00eda.A nivel metodol\u00f3gico se utilizan un amplio abanico de t\u00e9cnicas computacionales: c\u00e1lculos energ\u00e9ticos basados en primeros principios, simulaciones  de din\u00e1mica molecular cl\u00e1sica, simulaciones de monte carlo y c\u00e1lculo de magnitudes mec\u00e1nico-estad\u00edsticas en la aproximaci\u00f3n de campo medio.Los resultados obtenidos muestran el papel esencial que juega el acoplamiento trilineal, y que distorsiones aparentemente secundarias, se tornan cr\u00edticas debido al citado acoplamiento. La tesis sugiere que este tipo de interacci\u00f3n a tres modos deber\u00eda ser estudiado siempre que se presente la condensaci\u00f3n simult\u00e1nea de varios modos.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Computational study of the phase transitions in families of double perovskite and aurivillius compounds: the influence of the trilinear coupling\/perovskita eta aurivillius motako konposatu familien fa<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Computational study of the phase transitions in families of double perovskite and aurivillius compounds: the influence of the trilinear coupling\/perovskita eta aurivillius motako konposatu familien fa <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Urko Petralanda Holguin <\/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 30\/05\/2014<\/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>I\u00f1igo Etxebarria Altzaga<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: Juan  manuel Perez mato <\/li>\n<li>karlheinz Schwarz &#8212; (vocal)<\/li>\n<li>Francisco Javier Junquera quintana (vocal)<\/li>\n<li>vicente Recarte callado (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Urko Petralanda Holguin En este trabajo se estudian las secuencias de transiciones de fase estructurales de las [&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":[7477,12909],"tags":[41378,220859,212169,37776,228796,50992],"class_list":["post-115725","post","type-post","status-publish","format-standard","hentry","category-cambio-de-fase","category-pais-vasco-euskal-herriko-unibertsitatea","tag-francisco-javier-junquera-quintana","tag-inigo-etxebarria-altzaga","tag-juan-manuel-perez-mato","tag-karlheinz-schwarz","tag-urko-petralanda-holguin","tag-vicente-recarte-callado"],"_links":{"self":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/115725","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=115725"}],"version-history":[{"count":0,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/115725\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/media?parent=115725"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/categories?post=115725"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/tags?post=115725"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}