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.
Palacios, P;
[1]
Sanchez, K;
[1]
Conesa, J C;
[2]
Fernandez, J J;
[3]
Wahnon, P
[1]
- Instituto de Energia Solar and Dpt. de Tecnologias Especiales, ETSI de Telecomunicacion, UPM, Ciudad Universitaria s/n, 28040 Madrid (Spain)
- Instituto de Catalisis y Petroleoquimica, CSIC, Marie Curie 2, Cantoblanco, 28049 Madrid (Spain)
- Dpt. de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, 28080, Madrid (Spain)
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.
https://doi.org/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.
https://doi.org/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 = []
issue = {15}
volume = {515}
place = {Netherlands}
year = {2007}
month = {May}
}
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 = []
issue = {15}
volume = {515}
place = {Netherlands}
year = {2007}
month = {May}
}