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Band gap control via tuning of inversion degree in CdIn2S4 spinel
Citation
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 |
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| Author/s: |
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| Item Type: | Article |
| Título de Revista/Publicación: | Applied Physics Letters |
| Date: | March 2012 |
| ISSN: | 0003-6951 |
| 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 |
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 |
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| DC Identifier: | https://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 |
