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Theoretical modelling of intermediate band solar cell materials based on metal-doped chalcopyrite compounds

Abstract

Electronic structure calculations are carried out for CuGaS{sub 2} partially substituted with Ti, V, Cr or Mn to ascertain if some of these systems could provide an intermediate band material able to give a high efficiency photovoltaic cell. Trends in electronic level positions are analyzed and more accurate advanced theory levels (exact exchange or Hubbard-type methods) are used in some cases. The Ti-substituted system seems more likely to yield an intermediate band material with the desired properties, and furthermore seems realizable from the thermodynamic point of view, while those with Cr and Mn might give half-metal structures with applications in spintronics.
Authors:
Palacios, P; [1]  Sanchez, K; [1]  Conesa, J C; [2]  Fernandez, J J; [3]  Wahnon, P [1] 
  1. Instituto de Energia Solar and Dpt. de Tecnologias Especiales, ETSI de Telecomunicacion, UPM, Ciudad Universitaria s/n, 28040 Madrid (Spain)
  2. Instituto de Catalisis y Petroleoquimica, CSIC, Marie Curie 2, Cantoblanco, 28049 Madrid (Spain)
  3. Dpt. de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, 28080, Madrid (Spain)
Publication Date:
May 31, 2007
Product Type:
Journal Article
Resource Relation:
Journal Name: Thin Solid Films; Journal Volume: 515; Journal Issue: 15; Conference: EMRS 2006 Symposium O on thin film chalcogenide photovoltaic materials, Nice (France), 29 May - 2 Jun 2006; Other Information: DOI: 10.1016/j.tsf.2006.12.170; PII: S0040-6090(06)01591-4; Copyright (c) 2006 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA)
Subject:
36 MATERIALS SCIENCE; CHALCOPYRITE; CHROMIUM COMPOUNDS; COPPER SULFIDES; DOPED MATERIALS; ELECTRONIC STRUCTURE; GALLIUM SULFIDES; MANGANESE COMPOUNDS; SIMULATION; SOLAR CELLS; THERMODYNAMICS; TITANIUM COMPOUNDS; VANADIUM COMPOUNDS
OSTI ID:
20994961
Country of Origin:
Netherlands
Language:
English
Other Identifying Numbers:
Journal ID: ISSN 0040-6090; THSFAP; TRN: NL07T3707018912
Submitting Site:
NLN
Size:
page(s) 6280-6284
Announcement Date:
Apr 04, 2008

Citation Formats

Palacios, P, Sanchez, K, Conesa, J C, Fernandez, J J, and Wahnon, P. Theoretical modelling of intermediate band solar cell materials based on metal-doped chalcopyrite compounds. Netherlands: N. p., 2007. Web. doi:10.1016/j.tsf.2006.12.170.
Palacios, P, Sanchez, K, Conesa, J C, Fernandez, J J, & Wahnon, P. Theoretical modelling of intermediate band solar cell materials based on metal-doped chalcopyrite compounds. Netherlands. doi:10.1016/j.tsf.2006.12.170.
Palacios, P, Sanchez, K, Conesa, J C, Fernandez, J J, and Wahnon, P. 2007. "Theoretical modelling of intermediate band solar cell materials based on metal-doped chalcopyrite compounds." Netherlands. doi:10.1016/j.tsf.2006.12.170. https://www.osti.gov/servlets/purl/10.1016/j.tsf.2006.12.170.
@misc{etde_20994961,
title = {Theoretical modelling of intermediate band solar cell materials based on metal-doped chalcopyrite compounds}
author = {Palacios, P, Sanchez, K, Conesa, J C, Fernandez, J J, and Wahnon, P}
abstractNote = {Electronic structure calculations are carried out for CuGaS{sub 2} partially substituted with Ti, V, Cr or Mn to ascertain if some of these systems could provide an intermediate band material able to give a high efficiency photovoltaic cell. Trends in electronic level positions are analyzed and more accurate advanced theory levels (exact exchange or Hubbard-type methods) are used in some cases. The Ti-substituted system seems more likely to yield an intermediate band material with the desired properties, and furthermore seems realizable from the thermodynamic point of view, while those with Cr and Mn might give half-metal structures with applications in spintronics.}
doi = {10.1016/j.tsf.2006.12.170}
journal = {Thin Solid Films}
issue = {15}
volume = {515}
place = {Netherlands}
year = {2007}
month = {May}
}