Engineering intermediate band materials based on metal-doped chalcogenides compounds by quantum mechanical calculations

Wahnón Benarroch, Perla and Palacios Clemente, Pablo and Sánchez Noriega, Kefrén and Aguilera Bonet, Irene and Conesa Cegarra, José Carlos (2007). Engineering intermediate band materials based on metal-doped chalcogenides compounds by quantum mechanical calculations. In: "22nd European Photovoltaic Solar Energy Conference", 3-7 Sept 2007, Milán, Italia. ISBN 3936338221. pp. 56-59.

Description

Title: Engineering intermediate band materials based on metal-doped chalcogenides compounds by quantum mechanical calculations
Author/s:
  • Wahnón Benarroch, Perla
  • Palacios Clemente, Pablo
  • Sánchez Noriega, Kefrén
  • Aguilera Bonet, Irene
  • Conesa Cegarra, José Carlos
Item Type: Presentation at Congress or Conference (Article)
Event Title: 22nd European Photovoltaic Solar Energy Conference
Event Dates: 3-7 Sept 2007
Event Location: Milán, Italia
Title of Book: Proceedings of the 22nd European Photovoltaic Solar Energy Conference
Date: 2007
ISBN: 3936338221
Subjects:
Freetext Keywords: Chalcopyrite, Fundamental, ab-initio
Faculty: E.T.S.I. Telecomunicación (UPM)
Department: Otro
Creative Commons Licenses: Recognition - No derivative works - Non commercial

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Abstract

In this work we present Density Functional Theory calculations (at the standard theory level and beyond) for metal-containing chalcogenide compounds derived from the chalcopyrite CuGaS2 and the spinel MgIn2S4. 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 an appropriate host semiconductor. For chalcopyrite alloy materials we have previously made ab-initio calculations using the Density Functional formalism in the Generalized Gradient Approach for different metals as Ti, V, Cr, and Mn substituting for Ga. For the Ti and Chromium cases, the observation of an intermediate band seems promising, so we have made now further calculations using two more advanced methods which handle more accurately the electron correlation and exchange effects. For Indium thiospinel materials with Vanadium as susbtituent we present here the first standard DFT calculations, showing that this compound is also a good intermediate band material candidate.

Funding Projects

TypeCodeAcronymLeaderTitle
FP6SES-CT-2003-502620FULLSPETRUMUnspecifiedA new PV wave making more efficient use of the solar spectrum
Government of SpainMAT2006-10618CALIBANDUnspecifiedNuevos materiales fotovoltaicos de banda intermedia basados en calcogenuros
Madrid Regional GovernmentS-05050/ENE/0310NUMANCIAUnspecifiedNueva generación de materiales, dispositivos y estrategias fotovoltaicas para un mejor aprovechamiento de la energía del sol

More information

Item ID: 62824
DC Identifier: http://oa.upm.es/62824/
OAI Identifier: oai:oa.upm.es:62824
Deposited by: Biblioteca ETSI Telecomunicación
Deposited on: 30 Jun 2020 10:27
Last Modified: 30 Jun 2020 10:27
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