Electronic properties of CdSe and Cd1-xFexSe wurtzite compounds: XANES measurements and analysis

The L-1 and L-3 edges of Cd and the K edges of Fe and Se have been examined for CdSe and Cd1-xFexSe (x = 0.22) wurtzite crystals by the X-ray absorpti on technique. The experimental results are compared with the calculated con duction band electronic densities of states of the CdSe and Cd3FeSe4 wurtzi te crystals [J. Konior, J. Goniakowski, S. Kaprzyk, J. Alloys Comp, 328 (20 01) 139], respectively. A good agreement is found between the experimental and theoretical results. Then, using the virtual crystal model for Cd1-xFex Se, the hypothetical wurtzite structure of FeSe, denoted as FeSe(w), as wel l as a hybridized contribution of FeSe(w) in Cd1-xFexSe have been extracted . Comparing these data with CdSe, taken as a standard compound, the extract ed contributions show p-like behavior around Se ions, at about 2 eV below a nd at 8 and 18 eV above the corresponding energy of the CdSe conduction ban d minimum. A negligible contribution of FeSe(w) around Cd ion has been asce rtained. (C) 2001 Elsevier Science B.V. All rights reserved.