Ab-initio vibrational properties of transition metal chalcopyrite alloys determined as high-efficiency intermediate-band photovoltaic materials

Palacios Clemente, Pablo and Aguilera Bonet, Irene and Wahnón Benarroch, Perla (2008). Ab-initio vibrational properties of transition metal chalcopyrite alloys determined as high-efficiency intermediate-band photovoltaic materials. "Thin Solid Films", v. 516 (n. 20); pp. 7070-7074. ISSN 0040-6090. https://doi.org/10.1016/j.tsf.2007.12.062.

Description

Title: Ab-initio vibrational properties of transition metal chalcopyrite alloys determined as high-efficiency intermediate-band photovoltaic materials
Author/s:
  • Palacios Clemente, Pablo
  • Aguilera Bonet, Irene
  • Wahnón Benarroch, Perla
Item Type: Article
Título de Revista/Publicación: Thin Solid Films
Date: August 2008
ISSN: 0040-6090
Volume: 516
Subjects:
Freetext Keywords: Chalcopyrite; intermediate-band materials; vibrational calculations
Faculty: E.T.S.I. Telecomunicación (UPM)
Department: Electrónica Física
Creative Commons Licenses: Recognition - No derivative works - Non commercial

Full text

[img]
Preview
PDF - Requires a PDF viewer, such as GSview, Xpdf or Adobe Acrobat Reader
Download (288kB) | Preview

Abstract

In this work, we present frozen phonon and linear response ab-initio research into the vibrational properties of the CuGaS2 chalcopyrite and transition metal substituted (CuGaS2)M alloys. These systems are potential candidates for developing a novel solar-cell material with enhanced optoelectronic properties based in the implementation of the intermediate-band concept. We have previously carried out ab-initio calculations of the electronic properties of these kinds of chalcopyrite metal alloys showing a narrow transition metal band isolated in the semiconductor band gap. The substitutes used in the present work are the 3d metal elements, Titanium and Chromium. For the theoretical calculations we use standard density functional theory at local density and generalized gradient approximation levels. We found that the optical phonon branches of the transition metal chalcopyrite, are very sensitive to the specific bonding geometry and small changes in the transition metal environment.

More information

Item ID: 2410
DC Identifier: http://oa.upm.es/2410/
OAI Identifier: oai:oa.upm.es:2410
DOI: 10.1016/j.tsf.2007.12.062
Official URL: http://www.elsevier.com/wps/find/journaldescription.cws_home/504106/description#description
Deposited by: Memoria Investigacion
Deposited on: 12 Mar 2010 11:00
Last Modified: 20 Apr 2016 12:06
  • Logo InvestigaM (UPM)
  • Logo GEOUP4
  • Logo Open Access
  • Open Access
  • Logo Sherpa/Romeo
    Check whether the anglo-saxon journal in which you have published an article allows you to also publish it under open access.
  • Logo Dulcinea
    Check whether the spanish journal in which you have published an article allows you to also publish it under open access.
  • Logo de Recolecta
  • Logo del Observatorio I+D+i UPM
  • Logo de OpenCourseWare UPM