Ab-initio study of the magnetic structures stability of FeMn system

J. MARTÍNEZ; J. DESIMONI; E. L. PELTZER Y BLANCÁ

Universidad Mayor de San Carlos, Lima, Perú

Conferencia; XII Latin American Conference on the Application of the Mössbaueer Effects (LACAME); 2010

Latin American Conference on the Application of the Mössbaueer Effects

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: 1Q, 2Q and 3Q, based on the spins orientation. Despite effort from both theoretical and experimental perspective to determine which structure fit the base state, or at least to be able to exclude any of them, these studies have arrived to contradictories or confused results, depending on the experimental technique. These results give an excellent opportunity to use ab-initio calculations. In this work we present results of that kind of calculations performed for all these magnetic structures on the L10 crystalline structure, and the hyperfine parameters were compared with those obtained by Mössbauer spectroscopy. The calculations were performed using the elk code that uses the FLAPW method (Full-Potential Linearized Augmented Plane Waves).