Crystallographic, magnetic and electronic structure of iron-silver and iron-gold perovskite nitrides

Abstract

In the present work, mechanical alloying is used to obtain the γ′-Ag 0.36Fe 3.64N and γ′-AuFe 3N perovskite nitrides. For silver substitution, single-phase AgFe 3N was not obtained while gold substitution leads to a single-phase compound which is not fully ordered. These compounds were studied by Mössbauer spectroscopy and X-ray diffraction. Magnetic measurements made at low temperature give 4.14 μ B and 5.43 μ B as the magnetic moment per unit formula for silver and gold substitution, respectively. LMTO calculations were performed for γ′-AgFe 3N and γ′-AuFe 3N fully ordered compounds. The calculated magnetic moments for these compounds were 6.14 μ B and 6.42 μ B, respectively. Also the electronic structure was compared with Mossbauer results in terms of isomer shift and magnetic hyperfine field.