Sahnoun, Mohammed Parlebas, J. C. Driz, Mohamed Daul, Claude 2010-06-09 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. application/pdf https://folia.unifr.ch/global/documents/301770 https://folia.unifr.ch/documents/301770/files/dau_sep.pdf eng info:eu-repo/semantics/altIdentifier/doi/10.1016/j.physb.2010.06.009 info:eu-repo/semantics/openAccess License undefined Physica B: Condensed Matter. - 2010, no. 18, p. 3822-3825 Transition metal nitrides Full-potential linearized augmented plane-wave method Structural and electronic properties info:eu-repo/classification/udc/54 Structural and electronic properties of isostructural transition metal nitrides http://purl.org/coar/resource_type/c_6501