J Drahokoupil et al 2008 J. Phys.: Condens. Matter 20 155206 doi:10.1088/0953-8984/20/15/155206
J Drahokoupil, O Šipr and A Šimůnek
Show affiliationsX-ray emission and x-ray absorption spectra at the K-edges of ternary semiconductors CuGaSe2 and ZnGeAs2 are aligned by measuring the corresponding Kβ1,3 line in the apparatus used for recording the emission spectra and in the apparatus used for recording the absorption spectra. This makes it possible to determine the element-specific x-ray gap in the p states and to observe that this gap decreases if the electronegativity of the corresponding element increases. Additionally, spectra related to different atoms of the same compound were aligned by relying on theoretical x-ray emission bands. Calculations based on the local density approximation are able to reproduce the mutual positions of x-ray absorption bands of different elements of the same compound provided that a universal correction for the predicted onset of the conduction band is applied (by means of the so-called scissors operator).
78.70.Dm X-ray absorption spectra
78.70.En X-ray emission spectra and fluorescence
71.20.Nr Semiconductor compounds
71.15.Mb Density functional theory, local density approximation, gradient and other corrections
Issue 15 (16 April 2008)
Received 12 December 2007, in final form 29 February 2008
Published 25 March 2008
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