The calculated electronic and magnetic structures of Fe4N and Mn 4NReport as inadecuate




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1 Laboratoire de Chimie du Solide 2 TU Wien - Technische Universität Wien

Abstract : 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.

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





Author: Samir F. Matar - P. Mohn - Gérard Demazeau - B. Siberchicot -

Source: https://hal.archives-ouvertes.fr/



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