{"id":98902,"date":"2018-03-11T10:19:49","date_gmt":"2018-03-11T10:19:49","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/an-aab-initioa-study-on-superconductivity-in-the-light-group-iva-hydrides-and-melting-of-the-alkali-metals\/"},"modified":"2018-03-11T10:19:49","modified_gmt":"2018-03-11T10:19:49","slug":"an-aab-initioa-study-on-superconductivity-in-the-light-group-iva-hydrides-and-melting-of-the-alkali-metals","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/pais-vasco-euskal-herriko-unibertsitatea\/an-aab-initioa-study-on-superconductivity-in-the-light-group-iva-hydrides-and-melting-of-the-alkali-metals\/","title":{"rendered":"An \u00c2\u00bfab-initio\u00c2\u00bf study on superconductivity in the light group iva hydrides and melting of the alkali metals"},"content":{"rendered":"<h2>Tesis doctoral de <strong> Miguel Martinez Canales <\/strong><\/h2>\n<p>\u00e9sta tesis doctoral presenta un an\u00e1lisis te\u00f3rico ab-initio a alta presi\u00f3n de dos series de compuestos con propiedades muy diferenciadas: los hidruros ligeros del grupo iva y los metales alcalinos.      en el caso de los hidruros del grupo iva (ch4, sih4, geh4) se han analizado en el marco de la teor\u00eda del funcional de la densidad las transiciones de fase, metalizaci\u00f3n y superconductividad. Para ello, se ha hecho uso de algoritmos evolucionaros para la predicci\u00f3n de estructuras, dada la escasa o nula informaci\u00f3n experimental sobre estos compuestos a altas presiones. De estos compuestos se deduce que el ch4 no ha de metalizar antes de su posible disociaci\u00f3n, y por lo tanto no es un buen candidato para buscar superconductividad. El sih4, en cambio, presenta una transici\u00f3n de fase a unos 55 gpa hacia un ordenamiento de caracter\u00edsticas polim\u00e9ricas. A unos 200 gpa, metalizar\u00eda, y ser\u00eda superconductor con una tc de 17 k. Seg\u00fan el an\u00e1lisis realizado, el geh4 metalizar\u00eda a unos 30 gpa, y su tc por encima de 150 gpa ser\u00eda de unos 60 k.     en \u00faltimo lugar, se ha analizado la curva de fusi\u00f3n de tres metales alcalinos (li, na y cs) a partir de un modelo simple (el criterio de lindemann). Las curvas obtenidas para el sodio y el cesio se ajustan a los resultados experimentales, mostrando que las anomal\u00edas presentes en la fase s\u00f3lida pueden explicar dicha curva de fusi\u00f3n sin necesidad de achacarlo a transiciones de fase l\u00edquido-l\u00edquido. El litio, para el cual no hay datos experimentales a alta presi\u00f3n, presenta una curva de fusi\u00f3n muy distinta a los otros dos elementos, y es mon\u00f3tonamente creciente en la fase fcc. Una disminuci\u00f3n de la temperatura de fusi\u00f3n en el litio requiere un comportamiento complejo en su estado l\u00edquido.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>An \u00c2\u00bfab-initio\u00c2\u00bf study on superconductivity in the light group iva hydrides and melting of the alkali metals<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 An \u00c2\u00bfab-initio\u00c2\u00bf study on superconductivity in the light group iva hydrides and melting of the alkali metals <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Miguel Martinez Canales <\/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 29\/01\/2010<\/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>Aitor Vergara Jauregui<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: andres Arnau pino <\/li>\n<li>alfonso Mu\u00f1oz gonzalez (vocal)<\/li>\n<li>christopher j. Pickard (vocal)<\/li>\n<li>yanming Ma (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Miguel Martinez Canales \u00e9sta tesis doctoral presenta un an\u00e1lisis te\u00f3rico ab-initio a alta presi\u00f3n de dos series [&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":[169244,12909,149802],"tags":[188639,30154,119310,202058,202057,202059],"class_list":["post-98902","post","type-post","status-publish","format-standard","hentry","category-estructura-electronica-y-enlaces-quimicos-de-solidos","category-pais-vasco-euskal-herriko-unibertsitatea","category-transiciones-de-fase-en-cristales-liquidos","tag-aitor-vergara-jauregui","tag-alfonso-munoz-gonzalez","tag-andres-arnau-pino","tag-christopher-j-pickard","tag-miguel-Martinez-canales","tag-yanming-ma"],"_links":{"self":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/98902","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=98902"}],"version-history":[{"count":0,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/98902\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/media?parent=98902"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/categories?post=98902"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/tags?post=98902"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}