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Souilah, M., Lafond, A., Guillot-Deudon, C., Harel, S. & Evain, M. (2010) Structural investigation of the Cu2Se-In2Se3-Ga2Se3 phase diagram, X-ray photoemission and optical properties of the Cu1-z(In0.5Ga0.5)(1+) Se-z/3(2) compounds. J. Solid State Chem. 183 2274–2280. 
Added by: Laurent Cournède (2016-03-10 21:37:31)
Type de référence: Article
DOI: 10.1016/j.jssc.2010.08.014
Numéro d'identification (ISBN etc.): 0022-4596
Clé BibTeX: Souilah2010
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Catégories: MIOPS
Mots-clés: bond-valence parameters, CIGSe, crystal structure, crystal-structure, cu depletion, cuga5se8, cuin3se5, cuinse2, interfaces, photovoltaic, powder diffraction, Semiconductor, thin-films, XPS
Créateurs: Evain, Guillot-Deudon, Harel, Lafond, Souilah
Collection: J. Solid State Chem.
Consultations : 3/447
Indice de consultation : 2%
Indice de popularité : 0.5%
Résumé     
Structures of compounds in the Cu2Se-In2Se3-Ga2Se3 system have been investigated through X-ray diffraction. Single crystal structure studies for the so-called stoichiometric compounds Cu(In,Ga)Se-2 (CIGSe) confirm that the chalcopyrite structure (space group I (4) over bar 2d) is very flexible and can adapt itself to the substitution of Ga for In. On the other hand a structure modification is evidenced in the Cu1-z(In0.5Ga0.5)(1+z/3)Se-2 series when the copper vacancy ratio (z) increases: the chalcopyrite structure turns to a modified-stannite structure (I (4) over bar 2m) when z {>}= 0.26. There is a continuous evolution of the structure from Cu-0.74(In0.5Ga0.5)(1.09)Se-2 to Cu-0.25(In0.5Ga0.5)(1.2)sSe(2) ((i.e. Cu(In0.5Ga0.5)(5)Se-8), including Cu-0.4(In0.5Ga0.5)(1.2)Se-2 (i.e. Cu(In0.5Ga0.5)(3)Se-5). From this single crystal structural investigation, it is definitively clear that no ordered vacancy compound exists in that series. X-ray photoemission spectroscopy study shows for the first time that the surface of powdered Cu1-z(In0.5Ga0.5)(1+z/3)Se-2 compounds (z not equal 0) is more copper-poor than the bulk. The same result has often been observed on CIGSe thin films material for photovoltaic applications. In addition, optical band gaps of these non-stoichiometric compounds increase from 1.2 to 1.4 eV when z varies from 0 to 0.75. (C) 2010 Elsevier Inc. All rights reserved.
Added by: Laurent Cournède  
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