Regensburg 2007 – wissenschaftliches Programm

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MA: Fachverband Magnetismus

MA 22: FV intern Symposium: "Heusler Alloys"
Invited Talks Kübler/Yamamoto/Inomata/Silvia Picozzi

MA 22.1: Hauptvortrag

Donnerstag, 29. März 2007, 10:15–10:45, H10

Thermal properties of magnets from ab initio. — •Jürgen Kübler — Technische Universität Darmstadt

The local spin-density functional approximation (SDFA) is being successfully used for materials applications such as predicting structural and magnetic properties in the ground state. The ability to model low-lying magnetic excitations in the SDFA by means of non-collinear spin configurations together with well-established techniques from statistical mechanics also allows a determination of thermal properties of itinerant-electron magnets from ab initio. The Curie temperature, for instance, can be estimated quite reliably using the spherical approximation. This is demonstrated for a sizable number of Heusler compounds and other magnets for which theoretical predictions constitute an important tool in materials development. I gratefully acknowledge helpful discussions with Claudia Felser and Gerhard Fecher (Universität Mainz). I am, furthermore, indebted to Claudia Felser and Burkhard Hillebrands for their support.