{"id":60921,"date":"2018-03-09T22:48:44","date_gmt":"2018-03-09T22:48:44","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/first-principles-study-of-nanostructured-surface-reconstructions-induced-by-the-deposition-of-metals-on-vicinal-si-111\/"},"modified":"2018-03-09T22:48:44","modified_gmt":"2018-03-09T22:48:44","slug":"first-principles-study-of-nanostructured-surface-reconstructions-induced-by-the-deposition-of-metals-on-vicinal-si-111","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica-del-estado-solido\/first-principles-study-of-nanostructured-surface-reconstructions-induced-by-the-deposition-of-metals-on-vicinal-si-111\/","title":{"rendered":"First principles study of nanostructured surface reconstructions induced by the deposition of metals on vicinal si (111)"},"content":{"rendered":"<h2>Tesis doctoral de <strong> Sampsa Juhana Riikonen <\/strong><\/h2>\n<p>Estudio te\u00f3rico de las propiedades  electr\u00f3nicas y estructurales de reconstrucciones superficiales nanoestructuradas inducidas por la deposici\u00f3n de \u00e1tomos met\u00e1licos sobre superficies de silicio.   la presente tesis se centra en el estudio, utilizando c\u00e1lculos de estructura electr\u00f3nica dentro de la teor\u00eda del funcional de la densidad (dft), de la estructura at\u00f3mica y electr\u00f3nica de varias reconstrucciones que se obtienen despu\u00e9s de depositar diversos metales en si(111) y superficies vecinales de si(111). Muchas de estas estructuras forman reconstrucciones cuasi-unidimensionales donde los \u00e1tomos de metal se agrupan formando cadenas monoat\u00f3micas o con secciones de unos pocos \u00e1tomos. Por ello han sido propuestas como realizaciones experimentales de un metal unidimensional ideal, y se han buscado manifestaciones del comportamiento conocido como liquido de tomonaga- luttinger en sus espectros de fotoemisi\u00f3n, as\u00ed con indicaciones de transiciones metal-aislante asociadas a distorsiones estructurales del tipo transici\u00f3n de peierls. Casi todo nuestro estudio se ha centrado en las reconstrucciones inducidas por al deposici\u00f3n de oro si(557)\/au y si(111)-(5&#215;2)-au. En nuestro trabajo hemos conseguido identificar los modelos estructurales energ\u00e9ticamente m\u00e1s estables y hemos estudiado sus propiedades electr\u00f3nicas que, en general, est\u00e1n en buen acuerdo con lo observado en los experimentos de fotoemisi\u00f3n y de microscopia tunel. Tambi\u00e9n hemos dedicado alg\u00fan esfuerzo al sistema si(111)\/in. Para esta superficie hemos confirmado que el modelo para la transici\u00f3n 4&#215;1-> 4&#215;2-> 8&#215;2 basado en una deformaci\u00f3n de cizalla seguido por una distorsi\u00f3n de peierls, propuesto recientemente, es el m\u00e1s plausible y el que consigue un mejor acuerdo con la fenomenolog\u00eda experimental. En la presente tesis tambi\u00e9n hemos implementado el m\u00e9todo lda+u dentro del m\u00e9todo de calculo siesta.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>First principles study of nanostructured surface reconstructions induced by the deposition of metals on vicinal si (111)<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 First principles study of nanostructured surface reconstructions induced by the deposition of metals on vicinal si (111) <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Sampsa Juhana Riikonen <\/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 18\/10\/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>Daniel Sanchez Portal<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: Jos\u00e9 enrique Ortega conejero <\/li>\n<li>felix Yndurian mu\u00f1oz (vocal)<\/li>\n<li>enric Canadell casanova (vocal)<\/li>\n<li>adam Foster (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Sampsa Juhana Riikonen Estudio te\u00f3rico de las propiedades electr\u00f3nicas y estructurales de reconstrucciones superficiales nanoestructuradas inducidas por [&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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