CRYSTALLOGRAPHIC, MAGNETIC AND ELECTRONIC-STRUCTURE OF IRON-SILVER AND IRON-GOLD PEROVSKITE NITRIDES

In the present work, mechanical alloying is used to obtain the gamma'- Ag0.36Fe3.64N and gamma'-AuFe3N perovskite nitrides. For silver substi tution, single-phase AgFe3N was not obtained while gold substitution l eads to a single-phase compound which is not fully ordered. These comp ounds were studied by Mossbauer spectroscopy and X-ray diffraction. Ma gnetic measurements made at low temperature give 4.14 mu(B) and 5.43 m u(B) as the magnetic moment per unit formula for silver and gold subst itution, respectively. LMTO calculations were performed for gamma'-AgF e3N and gamma'-AuFe3N fully ordered compounds. The calculated magnetic moments for these compounds were 6.14 mu(B) and 6.42 mu(B), respectiv ely. Also the electronic structure was compared with Mossbauer results in terms of isomer shift and magnetic hyperfine field.