Full magnetoelectric response of Cr2O3 from first principles

Abstract

The linear magnetoelectric response of Cr2O3 at zero temperature is calculated from first principles by tracking the change in magnetization under a macroscopic electric field. Both the spin and the orbital contributions to the induced magnetization are computed, and in each case the response is decomposed into lattice and electronic parts. We find that the transverse response is dominated by the spin-lattice and spin-electronic contributions, whose calculated values are consistent with static and optical magnetoelectric measurements. In the case of the longitudinal response, orbital contributions dominate over spin contributions, but the net calculated longitudinal response remains much smaller than the experimentally measured one at low temperatures. We also discuss the absolute sign of the magnetoelectric coupling in the two time-reversed magnetic domains of Cr2O3.

7 pages, 1 figure

References in corpus (15)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Phonons and related properties of extended systems from density-functional perturbation theory
• Topological Field Theory of Time-Reversal Invariant Insulators
• Magnetoelectric polarizability and axion electrodynamics in crystalline insulators
• Berry phase correction to electron density of states in solids
• A First-Principles Approach to Insulators in Finite Electric Fields
• Orbital magnetization in periodic insulators
• Orbital magnetization in crystalline solids: Multi-band insulators, Chern insulators, and metals
• Orbital magnetoelectric coupling in band insulators
• Theory of orbital magnetoelectric response
• First-principles approach to lattice-mediated magnetoelectric effects
• Chern-Simons orbital magnetoelectric coupling in generic insulators
• Magnetoelectric response of multiferroic BiFeO3 and related materials
• The importance of the electronic contribution to linear magnetoelectricity
• Density-operator theory of orbital magnetic susceptibility in periodic insulators

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