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Descripción
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| In this work we present standard and beyond Density Functional Theory calculations for metal doped chalcogenide compounds as derivatives of CuGaS2 chalcopyrite and MgIn2S4 spinel. The purpose of the work is to develop a material which can be used to create a more efficient photovoltaic solar cell. This material must have a partially filled band inside the band-gap of the appropriate semiconductor as the aforementioned systems. For chalcopyrite alloy materials, we have previously made ab-initio calculations using the Density Functional formalism in the Generalized Gradient approach for different metal substituents as the Ti, V, Cr, and Mn. For the Ti and Chromium cases, the appearing of an intermediate band seems to be promising so we have made more calculations using two more advanced methods where we corrected the correlation and exchange effects. For spinel alloy materials we first presented standard density functional calculations with Vanadium as susbtituent. | |
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Internacional
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Si |
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Nombre congreso
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22th European Photovoltaic Solar Energy Conference Exhibition |
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Tipo de participación
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960 |
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Lugar del congreso
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Milán, Italia |
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Revisores
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Si |
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ISBN o ISSN
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3-936338-22-1 |
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DOI
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Fecha inicio congreso
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03/09/2007 |
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Fecha fin congreso
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07/09/2007 |
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Título de las actas
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