Journal article

Structural and electronic properties of isostructural transition metal nitrides

  • Sahnoun, Mohammed Faculté des Sciences et Technologie, Université de Mascara, Algeria
  • Parlebas, J. C. IPCMS, UMR 7504 CNRS-ULP, Strasbourg, France
  • Driz, Mohamed Applied Materials Laboratory, Université de Sidi Bel Abbes, Algeria
  • Daul, Claude Département de Chimie, Université de Fribourg, Switzerland
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    09.06.2010
Published in:
  • Physica B: Condensed Matter. - 2010, no. 18, p. 3822-3825
English The structural and electronic properties of three isostructural transition metal nitrides VN, NbN and TaN have been calculated using the full-potential linearized augmented plane-wave method within a generalized gradient approximation scheme for the exchange-correlation potential. Perfect NaCl structures as well as lattices containing nitrogen vacancies (M₄N₃), and an hexagonal ε-M₂N structure are considered. The trends are discussed and compared with available experimental and other theoretical results.
Faculty
Faculté des sciences et de médecine
Department
Département de Chimie
Language
  • English
Classification
Chemistry
License
License undefined
Identifiers
Persistent URL
https://folia.unifr.ch/unifr/documents/301770
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