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Wahnón Benarroch, Perla and Palacios Clemente, Pablo and Sánchez Noriega, Kefrén and Aguilera Bonet, Irene and Conesa Cegarra, José Carlos (2006). AB-Initio Modeling of Intermediate Band Materials Based on Metal-Doped Chalcopyrite Compounds. In: "IEEE 4th World Conference on Photovoltaic Energy Conference", 7-12 may 2006, Waikoloa, Hawai, USA. ISBN 1-4244-0016-3. pp. 63-66. https://doi.org/10.1109/WCPEC.2006.279347.
Title: | AB-Initio Modeling of Intermediate Band Materials Based on Metal-Doped Chalcopyrite Compounds |
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Author/s: |
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Item Type: | Presentation at Congress or Conference (Article) |
Event Title: | IEEE 4th World Conference on Photovoltaic Energy Conference |
Event Dates: | 7-12 may 2006 |
Event Location: | Waikoloa, Hawai, USA |
Title of Book: | 2006 IEEE 4th World Conference on Photovoltaic Energy Conference |
Date: | 2006 |
ISBN: | 1-4244-0016-3 |
Subjects: | |
Faculty: | Instituto de Energía Solar (IES) (UPM) |
Department: | Otro |
Creative Commons Licenses: | Recognition - No derivative works - Non commercial |
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Results of quantum calculations in M-doped chalcopyrite Cu4MGa3S8 (with M=Ti, V, Cr or Mn) are evaluated. The purpose of this work is the quest of a compound which possesses an isolated narrow partiallyfilled electronic band sited into the host semiconductor bandgap. The aforementioned material could be useful for designing novel solar cells with very high efficiency. Density Functional Theory calculations in the spinpolarized GGA approach have been carried out in all cases for obtain band dispersion diagrams and densities of electronic states. For the systems having Cr and Ti as dopants, where the results reveal promising features, an advanced DFT+U formalism has been used to ascertain their properties with higher certainty. Finally, after having reasoned that Cu4TiGa3S8 has the desired features, a prediction of its energetic feasibility has been formulated.
Type | Code | Acronym | Leader | Title |
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FP6 | SES6-CT-2003-502620 | FULLSPECTRUM | Unspecified | A new PV wave making more efficient use of the solar spectrum |
Government of Spain | MAT2004-04631 | Unspecified | Unspecified | Unspecified |
Madrid Regional Government | S-05050/ENE/0310 | NUMANCIA-MA | Unspecified | Unspecified |
Item ID: | 62064 |
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DC Identifier: | http://oa.upm.es/62064/ |
OAI Identifier: | oai:oa.upm.es:62064 |
DOI: | 10.1109/WCPEC.2006.279347 |
Official URL: | https://ieeexplore.ieee.org/document/4059562 |
Deposited by: | Biblioteca ETSI Telecomunicación |
Deposited on: | 24 Mar 2020 07:31 |
Last Modified: | 24 Mar 2020 07:31 |