Berlin 2012 – wissenschaftliches Programm
MA 19: Joint Session "Multiferroics III - Strain / New Routes towards Multiferroicity" (jointly with DF, DS, KR, TT)
MA 19.5: Vortrag
Dienstag, 27. März 2012, 10:30–10:45, EB 301
On the lattice engineering of magnetoelectric couplin — •Michael Fechner and Nicola Spaldin — ETH Zurich, Department for Material Theory,CH-8093 Zurich, Switzerland
We present results of first-principles calculations of the microscopic origin of the linear magnetoelectric (ME) effect in Cr2O3. In general such magnetoelectric responses – that is the electric polarization created by an applied magnetic field – are small. Since they are composed of both electronic- and lattice-mediated contributions, however, an increase in the response can in principle be achieved by phonon engineering. Here we investigate this possibility by first calculating how the magnetic interaction parameters are affected by phonon modes of different symmetry, focussing particularly on those that are active in the ME coupling. We find that the exchange interactions are most strongly modified in the non-IR active rotational phonon modes which do not contribute to the ME response. We then calculate the effect on the ME response if these phonons are disabled. Based on our results we suggest new routes for engineering materials with enhanced ME couplings.