Anomalous ferromagnetism and magneto-optic Kerr effect in rare-earth substituted Na0.5Bi0.5TiO3

Designing multifunctional materials with prominent electrical, optical, and magnetic properties is of keen interest to many technological applications. In the roadmap for designing such materials, we have investigated the rare-earth (Nd and Er)-substituted NBT using first-principles calculations. Our calculation predicts the emergence of magnetic degrees of freedom in these materials. The magnetic moments obtained, for the largest concentration of 25%, are similar to 1:47 and 1.49 mu(B)=f/u:, respectively, for Nd-NBT and Er-NBT. The mechanism for nonzero magnetic moments in (Nd/Er)-NBT is traced to the presence of unpaired f -electrons in the systems. Our simulations on magnetooptic effects show a significant Kerr signal of 0.7 degrees in both the materials. This suggests rare-earth substituted NBT as potential candidates for magneto-optical applications and motivates more theoretical and experimental works along this direction. Published under an exclusive license by AIP Publishing.

Automated summary

In this study, rare-earth (Nd and Er)-substituted NBT materials were designed using first-principles calculations. The calculations showed the emergence of magnetic degrees of freedom in these materials. The magnetic moments obtained for Nd-NBT and Er-NBT were found to be 1.47 and 1.49 mu(B)/f/u:, respectively, at the maximum concentration of 25%. The presence of unpaired f-electrons in the systems was traced as the mechanism for the nonzero magnetic moments in (Nd/Er)-NBT. Simulation on magnetooptic effects demonstrated a significant Kerr signal of 0.7 degrees in both materials, suggesting their potential for magneto-optical applications.