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Advanced Computational Design of Intermediate-Band Photovoltaic Material V-substituted MgIn2S4

Published online by Cambridge University Press:  31 January 2011

Irene Aguilera ,
Pablo Palacios ,
Kefren Sànchez  and
Perla Wahnòn
Irene Aguilera
Affiliation:
aguilera@etsit.upm.es, Universidad Politécnica de Madrid, Instituto de Energía Solar & Dept. Tecnologías Especiales, Madrid, Spain
Pablo Palacios
Affiliation:
pablop@etsit.upm.es, Universidad Politécnica de Madrid, Instituto de Energía Solar & Dept. Tecnologías Especiales, Madrid, Spain
Kefren Sànchez
Affiliation:
kefren@etsit.upm.es, Universidad Politécnica de Madrid, Instituto de Energía Solar & Dept. Tecnologías Especiales, Madrid, Spain
Perla Wahnòn
Affiliation:
perla@etsit.upm.es, Universidad Politécnica de Madrid, Instituto de Energía Solar & Dept. Tecnologías Especiales, Madrid, Spain
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Abstract

An intermediate-band material based on thiospinel semiconductor MgIn2S4 is presented. This material is proposed as high efficiency photovoltaic material for intermediate-band solar cells. We analyze V substitution for In in the parent compound MgIn2S4 and the formation of the V d-states intermediate band. For the proper characterization of the width and position of this band inside the band gap, the standard one-shot GW method within the plasmon-pole approximation is applied. The electronic properties thus obtained are discussed and compared to those studied with Density Functional Theory (DFT), and the advantages and the limitations of the two methods are discussed. In addition, DFT electronic-charge density analysis is shown.

Keywords

thin filmphotovoltaicsimulation
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1218: Symposium Z – Energy Harvesting–From Fundamentals to Devices , 2009 , 1218-Z04-02
Copyright
Copyright © Materials Research Society 2010

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