Band gap control via tuning of inversion degree in CdIn2S4 spinel

Seminóvski Pérez, Yohanna and Palacios Clemente, Pablo and Wahnón Benarroch, Perla and Grau-Crespo, Ricardo (2012). Band gap control via tuning of inversion degree in CdIn2S4 spinel. "Applied Physics Letters", v. 100 (n. 10); pp.. ISSN 0003-6951. https://doi.org/10.1063/1.3692780.

Description

Title: Band gap control via tuning of inversion degree in CdIn2S4 spinel
Author/s:
  • Seminóvski Pérez, Yohanna
  • Palacios Clemente, Pablo
  • Wahnón Benarroch, Perla
  • Grau-Crespo, Ricardo
Item Type: Article
Título de Revista/Publicación: Applied Physics Letters
Date: March 2012
Volume: 100
Subjects:
Freetext Keywords: ab initio calculations, cadmium compounds, cooling, energy gap, free energy, indium compounds, ternary semiconductors, tuning
Faculty: Instituto de Energía Solar (IES) (UPM)
Department: Tecnologías Especiales Aplicadas a la Aeronáutica [hasta 2014]
Creative Commons Licenses: Recognition - No derivative works - Non commercial

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Abstract

Based on theoretical arguments, we propose a possible route for controlling the band-gap in the promising photovoltaic material CdIn2S4. Our ab initio calculations show that the experimental degree of inversion in this spinel (fraction of tetrahedral sites occupied by In) corresponds approximately to the equilibrium value given by the minimum of the theoretical inversion free energy at a typical synthesis temperature. Modification of this temperature, or of the cooling rate after synthesis, is then expected to change the inversion degree, which in turn sensitively tunes the electronic band-gap of the solid, as shown here by screened hybrid functional calculations.

More information

Item ID: 16104
DC Identifier: http://oa.upm.es/16104/
OAI Identifier: oai:oa.upm.es:16104
DOI: 10.1063/1.3692780
Official URL: http://apl.aip.org/resource/1/applab/v100/i10/p102112_s1?isAuthorized=no
Deposited by: Memoria Investigacion
Deposited on: 03 Aug 2013 08:30
Last Modified: 21 Apr 2016 16:26
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