{"id":102463,"date":"2010-05-07T00:00:00","date_gmt":"2010-05-07T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/caracterizacion-optoelectronica-por-metodos-ab-initio-avanzados-de-nuevos-materiales-fotovoltaicos-de-banda-intermedia\/"},"modified":"2010-05-07T00:00:00","modified_gmt":"2010-05-07T00:00:00","slug":"caracterizacion-optoelectronica-por-metodos-ab-initio-avanzados-de-nuevos-materiales-fotovoltaicos-de-banda-intermedia","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica-del-estado-solido\/caracterizacion-optoelectronica-por-metodos-ab-initio-avanzados-de-nuevos-materiales-fotovoltaicos-de-banda-intermedia\/","title":{"rendered":"Caracterizaci\u00f3n optoelectr\u00f3nica por m\u00e9todos ab-initio avanzados de nuevos materiales fotovoltaicos de banda intermedia."},"content":{"rendered":"<h2>Tesis doctoral de <strong> Irene Aguilera Bonet <\/strong><\/h2>\n<p>Hoy en d\u00eda, los materiales de banda intermedia representan una de las propuestas m\u00e1s prometedoras en la b\u00fasqueda de c\u00e9lulas solares m\u00e1s eficientes y de menor coste. En esta tesis presentamos un estudio de semiconductores sustituidos con metales de transici\u00f3n basado en sus propiedades optoelectr\u00f3nicas. Estos materiales se propusieron como absorbentes de alta eficiencia para c\u00e9lulas fotovoltaicas de banda intermedia, ya que presentan una banda estrecha parcialmente llena alojada en la banda prohibida del semiconductor base. Esta banda permite la absorci\u00f3n de fotones con energ\u00edas menores que la banda prohibida del semiconductor original, lo que podr\u00eda en principio incrementar la fotocorriente de una c\u00e9lula, produciendo un importante efecto en su rendimiento.  debido a la escasez de resultados experimentales de este tipo de materiales, es necesario, para la correcta comprensi\u00f3n de la formaci\u00f3n de la banda intermedia, estudiar sus propiedades te\u00f3ricamente para predecir su idoneidad para aplicaciones fotovoltaicas de alta eficiencia. Nuestro objetivo es describir y predecir mediante m\u00e9todos ab initio estas propiedades y especialmente la contribuci\u00f3n de la nueva banda a la absorci\u00f3n. Para este fin, es necesaria una descripci\u00f3n precisa de la estructura electr\u00f3nica del sistema. Primero, una aproximaci\u00f3n inicial a las propiedades del material se consigue mediante la teor\u00eda del funcional de la densidad y ello nos da una idea sobre la posibilidad de la formaci\u00f3n de la banda intermedia, lo que nos permite descartar algunos de los candidatos originales. Dado que los m\u00e9todos del funcional de la densidad no dan la precisi\u00f3n necesaria para obtener a continuaci\u00f3n propiedades de estados excitados, ser\u00e1 necesario el uso de otros m\u00e9todos ab initio avanzados. Este trabajo se centrar\u00e1 as\u00ed, en la comprensi\u00f3n y el an\u00e1lisis detallado del comportamiento electr\u00f3nico y \u00f3ptico de materiales de banda intermedia con diferentes aproximaciones te\u00f3ricas, y la comparaci\u00f3n entre ellas, en particular se comparar\u00e1n los resultados de las metodolog\u00edas gw con los de la teor\u00eda del funcional de la densidad.  se prestar\u00e1 especial atenci\u00f3n a las propiedades \u00f3pticas de tres familias de materiales: derivados de semiconductores iii-v (gap), derivados de la calcopirita cugas2, y derivados de algunas tio-espinelas (in2s3, mgin2s4 y cdin2s4). Los espectros de absorci\u00f3n de todos estos compuestos tras realizar la sustituci\u00f3n con el metal de transici\u00f3n, presentan un incremento significativo en el rango de energ\u00edas de emisi\u00f3n solar, gracias a las transiciones que involucran a la banda intermedia. Como material para validar el concepto de banda intermedia, el si dopado con ti ser\u00e1 analizado como contribuci\u00f3n a esta tesis.  \/\/  intermediate-band materials represent nowadays one of the most promising proposals in the quest for more efficient, lower-cost solar cells. In this thesis we present a deep study of transition-metal substituted semiconductors based on their optoelectronic properties. These materials were proposed as high efficiency photovoltaic absorbers for intermediate-band solar cells for showing a partially-filled band placed inside the band gap of the parent semiconductor which enables the absorption of photons with energies lower than the band gap. This additional absorption could in principle increase the photocurrent of a cell, producing a significant effect on its performance.  due to the scarcity of experimental results of these materials, it is necessary for the proper understanding of the intermediate band formation, to study their properties theoretically in order to predict their suitability for high efficiency photovoltaic purposes. Our aim is to describe and predict by ab initio methods their properties and especially the contribution of the new intermediate band to their absorption. For that purpose we need a precise description of the electronic structure of the systems. First, an initial approximation to the properties of the material is obtained within density functional theory and that gives us an idea of the possibility of formation of the intermediate band, allowing us to rule out some of the original candidates. But since density functional methods do not give the precision we will further need to obtain the excited-states properties, the use of other advanced ab initio methods is necessary. This work is thus devoted to understanding and analyzing in depth the optical and electronic behavior of intermediate-band materials with different advanced theoretical approaches and the comparison of several first-principles methods, in particular we will compare gw results with those of density functional theory.  a special attention is paid to the optical properties of three families of intermediate-band materials: those derived from a iii-v semiconductor (gap), derivatives of chalcopyrite cugas2, and derivatives of some thiospinels (in2s3, mgin2s4 and cdin2s4). Absorption spectra of all these compounds show a significant increase across the solar spectrum range, due to the transitions in which the intermediate band takes part. As a material to assess the intermediate-band concept, ti-doped silicon will be analyzed as a contribution to this thesis.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Caracterizaci\u00f3n optoelectr\u00f3nica por m\u00e9todos ab-initio avanzados de nuevos materiales fotovoltaicos de banda intermedia.<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Caracterizaci\u00f3n optoelectr\u00f3nica por m\u00e9todos ab-initio avanzados de nuevos materiales fotovoltaicos de banda intermedia. <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Irene Aguilera Bonet <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Polit\u00e9cnica de Madrid<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 05\/07\/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>Perla Wahn\u00f3n Benarroch<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: Antonio Luque l\u00f3pez <\/li>\n<li>julio alfonso Alonso mart\u00edn (vocal)<\/li>\n<li>rex william Godby (vocal)<\/li>\n<li>Jos\u00e9 Carlos Conesa cegarra (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Irene Aguilera Bonet Hoy en d\u00eda, los materiales de banda intermedia representan una de las propuestas m\u00e1s 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