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A photoelectron spectroscopy study of the electronic structure evolution in CuInSe2-related compounds at changing copper content

Kuznetsova, T. V. and Grebennikov, V. I. and Zhao, H. and Derks, C. and Taubitz, C. and Neumann, M. and Persson, C. and Kuznetsov, M. V. and Bodnar, I. V. and Martin, R. W. and Yakushev, M. V. (2012) A photoelectron spectroscopy study of the electronic structure evolution in CuInSe2-related compounds at changing copper content. Applied Physics Letters, 101 (11). ISSN 0003-6951

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Abstract

Evolution of the valence-band structure at gradually increasing copper content has been analysed by x-ray photoelectron spectroscopy (XPS) in In2Se3, CuIn5Se8, CuIn3Se5, and CuInSe2 single crystals. A comparison of these spectra with calculated total and angular-momentum resolved density-of-states (DOS) revealed the main trends of this evolution. The formation of the theoretically predicted gap between the bonding and non-bonding states has been observed in both experimental XPS spectra and theoretical DOS.