Ab-initio study of the magnetic structures stability of FeMn system for one, two and three dimensional spin orientation cases

J. MARTÍNEZ, E. PELTZER Y BLANCÁ Y J. DESIMONI

Lima

Conferencia; LACAME2010; 2010

Universidad de San Marcos

The FCC-antiferromagnetic phase of the FeMn alloys has been object of many studies in the last decade. For this phase, there are three magnetic structure models based on the spins orientation called 1Q, 2Q and 3Q. Despite the devoted theoretical and experimental efforts to determine which structure fit the base state or at least to be able to exclude any of them, the studies have arrived to contradictories or confused results. These results give an excellent opportunity to use ab-initio calculations to obtain the equilibrium configurations and the structural and hyperfine properties. In this work we present results of that kind of calculations performed for three magnetic structures using the L10 crystalline structure. The calculations were performed using the elk code that uses the FLAPW method (Full-Potential Linearized Augmented Plane Waves). The attained hyperfine parameters are compared with those obtained by Mössbauer spectroscopy.