Temperature-dependent magnetoelectric effect from first principles.
We show that nonrelativistic exchange interactions and spin fluctuations can give rise to a linear magnetoelectric effect in collinear antiferromagnets at elevated temperatures that can exceed relativistic magnetoelectric responses by more than 1 order of magnitude. We show how symmetry arguments, ab initio methods, and Monte Carlo simulations can be combined to calculate temperature-dependent magnetoelectric susceptibilities entirely from first principles. The application of our method to Cr2O3 gives quantitative agreement with experiment.
Mostovoy
Maxim
M
Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, The Netherlands.
Scaramucci
Andrea
A
Spaldin
Nicola A
NA
Delaney
Kris T
KT