# Berlin 2012 – wissenschaftliches Programm

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# KR: Fachgruppe Kristallographie

## KR 2: Joint Session "Multiferroics I - Junctions and Thin Films / Magnetoelectric Coupling" (MA jointly with DF, DS, KR, TT), Organization: Manfred Fiebig (ETH Zürich)

### KR 2.8: Vortrag

### Montag, 26. März 2012, 11:45–12:00, EB 301

**Microscopic Mechanisms for Magnetoelectric Effect in LiMPO**_{4}** (M=Mn,Fe,Co,Ni)** — •Andrea Scaramucci, Eric Bousquet, and Nicola Spaldin — Materials Theory, Department of Materials, ETH Zurich, Zurich, Switzerland

We theoretically investigate the microscopic mechanisms leading to the linear
magnetoelectric effect in the LiMPO_{4} series. This is of particular interest
since some of its constituents possess toroidal moments and shows large
magnetoelectric effect.

By using symmetry analysis we obtain the microscopic couplings between spins and
electric polarization responsible for each component of the magnetoelectric
tensor. Furthermore, we identify couplings with exchange-strictive and
relativistic origin.
By using *ab initio* calculation and by enforcing numerous non collinear
spin configurations we extract the strength of these couplings together with
the exchange coupling constants.
We use mean field approximation and Monte Carlo simulation to calculate the
temperature evolution of magnetoelectric tensor. Our calculations explain
the features of the temperature dependence found in experiments.