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High energy resolution fluorescence detected X-ray absorption at Mn K edge in Cu-III-S2:Mn (III = Al, Ga, In) chalcopyrites

R Bacewicz et al 2009 J. Phys.: Conf. Ser. 190 012067 (4pp)   doi: 10.1088/1742-6596/190/1/012067  Help

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R Bacewicz1, A Pietnoczka1 and M Sikora2,3
1 Faculty of Physics, Warsaw University of Technology, Koszykowa 75, 00–662 Warsaw, Poland
2 Faculty of Physics and Applied Computer Science, AGH University of Science and Technology, Al. Mickiewicza 30, 30–059 Krakow, Poland
3 European Synchrotron Radiation Facility, BP 220, 38043 Grenoble, France
E-mail: bacewicz@if.pw.edu.pl

Abstract. Local order is studied in Mn-doped ternary semiconductors with chalcopyrite structure. We report the Mn K-edge X-ray absorption spectra detected by the high-energy-resolution fluorescence at the manganese Kβ emission line. The spectra are compared with the theoretical XANES calculated for different atomic sites by the real-space multiple-scattering approach and the finite difference method. The latter approach, being a non-muffin-tin method, gives a much better match to the near-edge spectra. However, no definite Mn site assignment has been reached. Spin selective examination of the pre-edge portion of the XANES indicates 3d5 configuration of Mn in all compounds studied. On the other hand, an effective spin derived from the Kβ emission spectra is between 2 and 2.5 due to the Mn-S bond covalency.

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