Abstract
The electronic structure of volume and film iron disilicides with crystal structure of the type of α leboit and fluorite was calculated using the linearized augmented plane-wave formalism. Joint and local partial densities of electronic states, x-ray emission spectra in different series of all inequivalent atoms of these phases, and photoelectron spectra for different excitation energies were obtained. γ-FeSi2 was found to be, unlike α-FeSi2, an unstable phase in both the volume and film realizations. X-ray L 2,3 emission spectra of silicon in the iron group disilicides NiSi2, CoSi2, and FeSi2 were compared. NiSi2, CoSi2, and α-FeSi2 exhibit transformation of the maximum in the near-Fermi region of the Si L 2,3 spectra as one crosses over from a bulk to a film sample. This transformation is closely connected with phase stability and may serve as a criterion of thermodynamic stability of the iron-group transition-metal disilicides.
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Translated from Fizika Tverdogo Tela, Vol. 44, No. 4, 2002, pp. 678–682.
Original Russian Text Copyright © 2002 by Kurganski\(\overset{\lower0.5em\hbox{$\smash{\scriptscriptstyle\smile}$}}{l} \), Pereslavtseva.
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Kurganskii, S.I., Pereslavtseva, N.S. Electronic structure of FeSi2 . Phys. Solid State 44, 704–708 (2002). https://doi.org/10.1134/1.1470562
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DOI: https://doi.org/10.1134/1.1470562