Magnetic and electric phase control in epitaxial EuTiO$_3$ from first principles

TL;DR

This paper demonstrates a first-principles approach to controlling magnetic and electric phases in EuTiO3 through coupling mechanisms involving spins, phonons, and strain, enabling phase manipulation via external fields.

Contribution

It introduces a novel design strategy for phase control in materials using first-principles calculations, specifically applied to EuTiO3.

Findings

Magnetic and electric phases can be controlled by external fields.

Coupling of spins, phonons, and strain enables phase manipulation.

First-principles calculations confirm the strategy's effectiveness.

Abstract

We propose a design strategy - based on the coupling of spins, optical phonons, and strain - for systems in which magnetic (electric) phase control can be achieved by an applied electric (magnetic) field. Using first-principles density-functional theory calculations, we present a realization of this strategy for the magnetic perovskite EuTiO$_3$.