First-principles approach to the dynamic magnetoelectric couplings in BiFeO$_3$

TL;DR

This paper uses a first-principles approach to uncover the dynamic magnetoelectric couplings in BiFeO$_3$, revealing hidden interactions and their effects on optical properties, with implications for future multiferroic device applications.

Contribution

It introduces a systematic first-principles method to identify and analyze hidden magnetoelectric couplings in multiferroics like BiFeO$_3$, including their impact on optical phenomena.

Findings

Discovered dynamic ME couplings due to spin-current and exchange-striction.

Identified non-reciprocal directional dichroism in BiFeO$_3$.

Provided a general approach applicable to other multiferroics.

Abstract

Despite its great technological importance, the magnetoelectric (ME) couplings in \BF are barely understood. By using a first-principles approach, we uncover the {\it dynamic} ME couplings of the long-range spin-cycloid in BiFeO$_3$. Based on a microscopic Hamiltonian, our first-principles approach disentangles the hidden ME couplings due to spin-current and exchange-striction. Beyond the spin-current polarization governed by the inverse Dzyaloshinskii-Moriya interaction \cite{iDM}, various spin-current polarizations derived from both ferroelectric and antiferrodistortive distortions cooperatively produce the strong non-reciprocal directional dichroism or the asymmetry in the absorption of counter-propagating light in BiFeO$_3$. Our systematic approach can be generally applied to any multiferroic material, laying the foundation for revealing hidden ME couplings on an atomic scale and for exploiting optical ME effects in the next generation of technological devices such as optical diodes.