Ab initio of magnetic properties of cobalt and tetracobalt nitride Co4N

Samir F. Matar (1) , A. Houari (2) , A. Belkhir (2)

1 ICMCB - Institut de Chimie de la Matière Condensée de Bordeaux
2 Laboratoire de Physique Théorique, Departement de Physique

Magnetic properties and bonding analyses of perovskite structure Co4N nitride have been investigated within density functional theory using both pseudopotential and all electron methods. In the same time, the structural and magnetic stabilities of pure cobalt in hexagonal close packed (hcp), face centered cubic (fcc), and body centered cubic structures are reviewed...

Mots clés: Density functional theory; Magnetic properties; Perovskite; CoN4; Nitride; Cobalt; Tetracobalt

Domaines: Matériaux

Samir F. Matar, A. Houari, A. Belkhir. Ab initio of magnetic properties of cobalt and tetracobalt nitride Co4N. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2007, 75 (24), 245109 (7 p.). ⟨10.1103/PhysRevB.75.245109⟩. ⟨hal-00154321⟩