Structural stability and magnetism of FeN from first principles

Abdesalem Houari (1) , Samir F. Matar (2) , Mohamed-Akli Belkhir (1) , M. Nakhl (3)

1 Laboratoire de Physique Théorique, Departement de Physique
2 ICMCB - Institut de Chimie de la Matière Condensée de Bordeaux
3 Faculté des Sciences et de Génie Informatique

In the framework of density-functional theory, the structural and magnetic properties of FeN mononitride have been investigated using the all-electron augmented spherical wave method with a generalized gradient approximation functional for treating the effects of exchange and correlation...

Mots clés: Density functional theory; FeN; Inorganic compounds; Spin; Polarization; Transport phenomena; Metal

Domaines: Matériaux

Abdesalem Houari, Samir F. Matar, Mohamed-Akli Belkhir, M. Nakhl. Structural stability and magnetism of FeN from first principles. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2007, 75 (6), 064420 (6 p.). ⟨10.1103/PhysRevB.75.064420⟩. ⟨hal-00133627⟩