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MM: Fachverband Metall- und Materialphysik

MM 5: Topical session (Symposium EPS and MM, joint session with MA): Magnetism in Materials Science: Thermodynamics, Kinetics and Defects (joint session MM/MA)

MM 5.1: Topical Talk

Montag, 12. März 2018, 10:15–10:45, TC 010

First principles many-body calculations for rare earth-based materials: present status and open challenges — •Silke Biermann — Centre de Physique Theorique, Ecole Polytechnique, 91128 Palaiseau, France

Rare earth compounds are at the heart of a wide range of modern materials applications, ranging from permanent magnets to pigments, and reliable and efficient first principles descriptions of their properties are highly desirable in view of the development of rational design techniques. Strong local Coulomb interactions on the rare earth f-shell, however, make ab initio calculations for such materials challenging.

We will review the present status of dynamical mean field theory-based approaches to the problem and describe recent methodological developments in the field [1,2,3].

[1] P. Seth, P. Hansmann, A. van Roekeghem, L. Vaugier, S. Biermann, Physical Review Letters 119 056401 (2017). [2] Pascal Delange, Silke Biermann, Takashi Miyake, Leonid Pourovskii, Phys. Rev. B 96, 155132 (2017). [3] S. Panda, L. Pourovskii, S. Biermann, in preparation.