Abstract
The emergent magnetic and ferroelectric orders in A-site ordered Gd1/2Na1/2TiO3 under lattice strain are investigated using the first-principles calculations. It is revealed that the lattice prefers the perovskite structure with alternatively stacked Ga-O and Na-O layers along the b-axis and the ground spin state favors the G-type antiferromagnetic (G-AFM) order. The ac-plane biaxial strain can remarkably tune the amplitude of ferroelectric polarization, while the G-AFM spin structure is robustly unaffected. The ±4% strains can trigger the change of polarization up to ±50% relative to the polarization value of unstrained structure. The present work suggests a possible scenario to control emergent multiferroic behaviors in Gd1/2Na1/2TiO3 via lattice strain.
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