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Guillot-Deudon, C., Harel, S., Mokrani, A., Lafond, A., Barreau, N., Fernandez, V. & Kessler, J. (2008) Electronic structure of NaxCu1-xIn5S8 compounds: X-ray photoemission spectroscopy study and band structure calculations. Phys. Rev. B, 78 235201. 
Added by: Laurent Cournède (2016-03-10 21:58:40)
Type de référence: Article
DOI: 10.1103/PhysRevB.78.235201
Numéro d'identification (ISBN etc.): 1098-0121
Clé BibTeX: GuillotDeudon2008
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Catégories: CESES, PMN
Mots-clés: buffer layers, chalcopyrite solar-cells, copper compounds, density, Density functional theory, deposition, electronic structure, energy gap, impact, indium compounds, Interface, semiconductor materials, sodium compounds, thin-films, valence bands, X-ray photoelectron spectra
Créateurs: Barreau, Fernandez, Guillot-Deudon, Harel, Kessler, Lafond, Mokrani
Collection: Phys. Rev. B
Consultations : 6/684
Indice de consultation : 2%
Indice de popularité : 0.5%
The aim of the present work is to complete a preliminary study concerning the electronic band structure investigations of NaxCu1-xIn5S8 compounds with 0 {<}= x {<}= 1, which are expected to be formed at the Cu(In,Ga)Se-2/In2S3 interface. The band structure calculations demonstrate that for the compounds containing both Na and Cu, as the Cu content increases the band gap tends to decrease, and x-ray photoemission spectroscopy measurements show that this variation is mainly due to valence-band-maximum shift along the solid solution. The band gap strongly depends on the nature of the monovalent cation, and the band structure calculations demonstrate that the d electrons of copper are responsible for the shift of the valence band. In addition, it is worth noting that the Cu-containing compounds have indirect gaps.
Added by: Laurent Cournède  
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