We investigate polarization-coupled magnetization ($P$-coupled-$M$) switching and strain-induced metal-to-insulator transition in ${\mathrm{AA}}^{\prime }{\mathrm{BB}}^{\prime }{\mathrm{O}}_6$ double perovskites, using ${\mathrm{Sr}}_2{\mathrm{FeMoO}}_6$ as an example. First-principles calculations and ab initio molecular dynamics simulations reveal an unconventional octahedral tilt precession ($Q_{Tp}$) facilitating efficient $P$-coupled-$M$ switching with a lower energy barrier compared to conventional hybrid improper ferroelectric modes. In ${\mathrm{KLaFeMoO}}_6$, strain engineering effectively modulates electronic and magnetic properties, demonstrating a strain-induced transition from a ferroelectric half-metallic ferromagnet to an antiferroelectric insulator. In this system, we have observed $P$-coupled-$M$ switching at 450 K. Monte Carlo simulations confirm the thermal stability and Néel temperature of the antiferromagnetic phase as 480 K. These results highlight the potential of ${\mathrm{KLaFeMoO}}_6$ for high-temperature spintronic applications.

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• Density of states
• Electric polarization
• Ferroelectricity
• Lattice dynamics
• Magnetic texture
• Phonons
• Spintronics