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Séminaire MCBT Recherche et instrumentation

Mardi 5 février à 11h00
Salle Louis weil, E424

"Evaluating the magneto-electric coupling by ab initio calculations"
Oratrice : Marie-Bernadette Lepetit (Institut Néel)

Abstract

Can one compute the magneto-electric coupling using ab-initio methods ?

The magneto-electric effect couples the polarization of a ferroelectric crystal with its magnetic properties, in other words the polarization can be tuned using a magnetic field and the magnetic order parameter (magnetization in a ferromagnetic material, staggered magnetization in an antiferromagnetic one, etc...) using an electric field. The magnetic order parameter is directly related to the amplitude of the magnetic coupling within the material, thus an accurate evaluation of the magnetic coupling as a function of an applied electric field constitute a direct access to the magneto-electric coupling.

After a short description of the different challenges to reach such a goal (strong correlation, magnetostrictive effects, spin-orbit coupling, etc...) and the methods we developed to overcome them, we will present our results on a textbook compound : $\rm Y MnO_3$.

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