The calculated electronic and magnetic structures of Fe4N and Mn 4N

Samir F. Matar (1) , P. Mohn (1, 2) , Gérard Demazeau (1) , B. Siberchicot (1)

1 Laboratoire de Chimie du Solide
2 TU Wien - Vienna University of Technology = Technische Universität Wien

Using the augmented spherical wave method (A.S.W.) we calculate the electronic and magnetic structures of Fe4N and Mn4N. Both nitrides are found to order magnetically exhibiting ferro- and ferrimagnetic spin alignment respectively. The magnetic moments found are in good agreement with neutron data. Both systems can be described via covalent magnetism. A comparison with Goodenough's phenomenological model as well as with Heusler alloys is given.

Mots clés: band structure of crystalline semiconductors and insulators; ferrimagnetic properties of substances; ferromagnetic properties of substances; iron compounds; magnetic moments; magnetic structure; manganese compounds

Domaines: Articles anciens

Samir F. Matar, P. Mohn, Gérard Demazeau, B. Siberchicot. The calculated electronic and magnetic structures of Fe4N and Mn 4N. Journal de Physique, 1988, 49 (10), pp.1761-1768. ⟨10.1051/jphys:0198800490100176100⟩. ⟨jpa-00210857⟩