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Electronic structure and calculated x-ray photoemission spectra of substoichiometric cubic molybdenum nitride (1986)

Marksteiner, P. ; Redinger, J. ; Weinberger, P.

Springer

The European physical journal 62 (1986), S. 443-449

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ISSN: 1434-6036

Source: Springer Online Journal Archives 1860-2000

Topics: Physics

Notes: Abstract Total and partial densities of states of substoichiometric cubic MoN x have been calculated for several concentrationsx by means of the KKR-CPA method. There are significant differences to the results of Papaconstantopoulos and Pickett [1] obtained by the LCAO-CPA method. In particular, the concentration dependence of the DOS at the Fermi energy is quite different. Using the single-scatterer final-state approximation, Al−Kα-XPS spectra have been calculated. It is found that the first peak in the valence band spectra is due mainly to metal-p rather than nonmetal-p states. The vacancy states in the DOS of substoichiometric MoN x give also rise to an additional peak in the XPS spectra.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/BF01303575

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