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Electronic Energy Structure of TiCu and Ti2Cu

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Abstract

The electronic energy structure (EES) of the valence band in tetragonal TiCu and Ti2Cu was studied experimentally and theoretically. The experimental study of valence band EES was carried out by X-ray photoelectron spectroscopy (XPS). The calculations were performed in terms of the cluster version of multiple scattering theory in a self-consistent field approximation. The results are compared with X-ray emission spectroscopy data available in the literature. The density of state curves agree well with spectroscopic data. The major contribution to XPS is from the copper d-states. The specifics of chemical bonding in the compounds leading to the observed changes in the shape of the valence band X-ray photoelectron spectra are discussed.

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Authors and Affiliations

  1. University of Uppsala, Sweden

    U. Gelius

  2. Taganrog State Radiotechnical University, Russia

    A. B. Kolpachev & O. V. Kolpacheva

  3. Don State Technical University, Rostov-on-Don

    I. Ya. Nikiforov & A. A. Chularis

Authors
  1. U. Gelius
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  2. A. B. Kolpachev
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  3. O. V. Kolpacheva
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  4. I. Ya. Nikiforov
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  5. A. A. Chularis
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Gelius, U., Kolpachev, A.B., Kolpacheva, O.V. et al. Electronic Energy Structure of TiCu and Ti2Cu. Journal of Structural Chemistry 42, 578–582 (2001). https://doi.org/10.1023/A:1013185624613

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  • DOI: https://doi.org/10.1023/A:1013185624613

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