Abstract
The x-ray absorption near edge structure (XANES) of selenium is investigatedin the crystals with compositions from the pseudobinary cut lineCu2Se-In2Se3. This includes CuInSe2, indium-rich ternary compounds (Cu2In4Se7,CuIn3Se5, CuIn5Se8, CuIn7Se11) and α-In2Se3. The absorption at the K andL3/L2edges of selenium has been measured using synchrotron radiation. Twotheoretical approaches are used to the interpretation of the experimentaldata: the band structure calculation and the real-space multiple-scattering(RSMS) method. In the first one, the angular momentum projected densities ofstates at Se sites are calculated for CuInSe2 and α-In2Se3 for the energies upto 17 eV above the conduction band minimum by the LMTO-ASA method. The RSMSapproach represented by the FEFF8 code is used to calculate the XANES spectrafor the phases with tetragonal symmetry. Clusters up to 160 atoms are used inthe calculations. The influence of different structural factors on theselenium XANES is studied.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
