Exploring the structural , electronic and magnetic properties of cation ordered 3d-5d double perovskite Bi${}_2$FeReO${}_6$ and Bi${}_2$FeIrO${}_6$ thin-films from first-principles

Paresh C. Rout, Varadharajan Srinivasan

We report a first-principles study of Bi-based 3$d$-5$d$ ordered double perovskite oxides (A${}_2$BB${}^{\prime }$O${}_6$) with a 3$d$ atom (Fe) at the B-site and 5$d$ atoms (Re,Ir) at the…