J. Phys. Colloques 49 (1988) C8-95-C8-96
THE MAGNETIC AND ELECTRONIC PROPERTIES OF Fe4N AND Mn4NP. Mohn1, S. Matar2, G. Demazeau2 et E. P. Wohlfarth3
1 Technical University of Vienna, A-1060 Vienna, Austria
2 Laboratoire de Chimie du Solide du CNRS, F-33504, Talence, France
3 Imperial College of Science and Technology, London SW7 2BZ, G.B.
Using the augmented spherical wave method we calculate the electronic and magnetic structure of Fe4N and Mn4N. Both nitrides are found to order magnetically exhibiting ferro- and ferrimagnetic spin alignment respectively in agreement with neutron data. A comparison with Goodenough's phenomenological model as well as with Heusler alloys is given.