{"id":61268,"date":"2007-09-11T00:00:00","date_gmt":"2007-09-11T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/first-principles-calculations-of-surfaces-and-layered-materials\/"},"modified":"2007-09-11T00:00:00","modified_gmt":"2007-09-11T00:00:00","slug":"first-principles-calculations-of-surfaces-and-layered-materials","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/first-principles-calculations-of-surfaces-and-layered-materials\/","title":{"rendered":"First principles calculations of surfaces and layered materials"},"content":{"rendered":"<h2>Tesis doctoral de <strong>  Machado Charry  Fabio Eduardo <\/strong><\/h2>\n<p>En este trabajo se han realizado c\u00e1lculos de primeros principios para estudiar las propiedades f\u00edsicas de superficies y materiales laminares. Los c\u00e1lculos se basan en la obtenci\u00f3n de las propiedades electr\u00f3nicas por medio de la teor\u00eda del funcional de la densidad, con la que se obtienen la energ\u00eda y fuerzas at\u00f3micas para cada sistema estudiado. De esta forma, se realizaron c\u00e1lculos de optimizaci\u00f3n estructural  y de din\u00e1mica molecular, que proporcionan informaci\u00f3n sobre las estructuras de equilibrio y la din\u00e1mica at\u00f3mica en funci\u00f3n de las condiciones externas (tales como presi\u00f3n y temperatura). Los c\u00e1lculos realizados se han centrado en diferentes sistemas con inter\u00e9s experimental, siempre en estrecha colaboraci\u00f3n con distintos grupos experimentales. En el campo de superficies, se han estudiado problemas relacionados con el crecimiento de l\u00e1minas delgadas de cobre para metalizaci\u00f3n de circuitos microelectr\u00f3nicos, la adsorci\u00f3n de fullerenos sobre superficies de germanio, y la medici\u00f3n de ondas de densidad de carga mediante microscop\u00eda de efecto t\u00fanel en bronces azules. En materiales laminares, el trabajo se ha centrado en comprender el efecto de la presi\u00f3n sobre las propiedades estructurales y electr\u00f3nicas de semiconductores laminares iii-vi, as\u00ed como en explicar la aparici\u00f3n de nuevas fases no-laminares para varios de estos sistemas a altas presiones.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>First principles calculations of surfaces and layered materials<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 First principles calculations of surfaces and layered materials <\/li>\n<li><strong>Autor:<\/strong>\u00a0  Machado Charry  Fabio Eduardo <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Aut\u00f3noma de barcelona<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 09\/11\/2007<\/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>Pablo Ordej\u00f3n Rontom\u00e9<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: Agusti Lledos Falco <\/li>\n<li>Alfonso Mu\u00f1oz Gonzalez (vocal)<\/li>\n<li> San Miguel Fuster Alfonso Enrique (vocal)<\/li>\n<li> Pascual Chico Jos\u00e9 Ignacio (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Machado Charry Fabio Eduardo En este trabajo se han realizado c\u00e1lculos de primeros principios para estudiar 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":[199,1604,8294],"tags":[9267,30154,135342,41379,96863,135343],"class_list":["post-61268","post","type-post","status-publish","format-standard","hentry","category-fisica","category-semiconductores","category-superficies","tag-agusti-lledos-falco","tag-alfonso-munoz-gonzalez","tag-machado-charry-fabio-eduardo","tag-pablo-ordejon-rontome","tag-pascual-chico-jose-ignacio","tag-san-miguel-fuster-alfonso-enrique"],"_links":{"self":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/61268","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=61268"}],"version-history":[{"count":0,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/61268\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/media?parent=61268"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/categories?post=61268"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/tags?post=61268"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}