Temperature-Dependent Magnetoelectric Effect from First Principles

Maxim Mostovoy*, Andrea Scaramucci, Nicola A. Spaldin, Kris T. Delaney

*Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

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Abstract

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 Cr(2)O(3) gives quantitative agreement with experiment.

Original languageEnglish
Article number087202
Pages (from-to)087202-1-087202-4
Number of pages4
JournalPhysical Review Letters
Volume105
Issue number8
DOIs
Publication statusPublished - 17-Aug-2010

Keywords

  • AUGMENTED-WAVE METHOD
  • THEORETICAL METHODS
  • ANTIFERROMAGNETICS
  • POLARIZATION
  • OXIDE

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