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The multifunctional materials with prominent properties such as electrical,ferroelectric, magnetic, optical and magneto-optical are of keen interest toseveral practical implications. In the roadmap of designing such materials, inthe present work, using density functional theory based first-principlescalculations, we have investigated the functional properties of transitionmetal substituted-NBT. Our calculations predict the emergence of half-metallicferromagnetism in the system. A nonzero magnetic moment of 1.49 $\mu_{\rmB}/{\rm f.u.}$ is obtained for 25\% concentration of Ni. Our data on opticalproperties for pure NBT is in excellent agreement with available theory andexperiments. For Ni-NBT, we observed a diverging nature of static dielectricconstant, which could be attributed to the induced metallic character in thematerial. Our simulations on MOKE predict a significant Kerr signal of0.7$^\circ$ for 6.25\% Ni-concentration.

Emergence of half-metallic ferromagnetism in transition metal substituted Na$_{0.5}$Bi$_{0.5}$TiO$_3$