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Article Dans Une Revue Physical Review B: Condensed Matter and Materials Physics (1998-2015) Année : 2005

Core-energy levels of Sc and N and their variation with coordination number in ScN

A. Simunek
  • Fonction : Auteur
J. Vackar
  • Fonction : Auteur
Karel Kunc
  • Fonction : Auteur
  • PersonId : 829935

Résumé

We present first-principles calculations of core energy levels in hexagonal and cubic forms of ScN. It is shown that the core energy levels of N and Sc appearing in various phases of ScN decrease, i.e., evolve to larger binding energies, as the total energy of the compound decreases and the Sc-N bond becomes stronger.
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Dates et versions

hal-00017226 , version 1 (18-01-2006)

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A. Simunek, J. Vackar, Karel Kunc. Core-energy levels of Sc and N and their variation with coordination number in ScN. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2005, 72, pp.045110. ⟨10.1103/PhysRevB.72.045110⟩. ⟨hal-00017226⟩
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