Ab-inito study of low temperature magnetic properties of double perovskite Sr2FeOsO6

Abstract

Using density-functional theory calculations, we investigated the electronic structure and magnetic exchange interactions of the ordered 3d-5d double perovskite Sr2FeOsO6, which has recently drawn attention for interesting antiferromagnetic transitions. Our study reveals the vital role played by long-range magnetic exchange interactions in this compound. The competition between the ferromagnetic nearest neighbor Os-O-Fe interaction and antiferromagnetic next nearest neighbor Os-O-Fe-O-Os interaction induces strong frustration in this system, which explains the lattice distortion and magnetic phase transitions observed in experiments.

5 Figures, 2 Tables

Cited by in corpus (6)

• Long-range magnetic interaction and frustration in double perovskite Sr${}_2$NiIrO${}_6$
• Octahedral tilting and emergence of ferrimagnetism in cobalt-ruthenium based double perovskites
• $J_{eff}$ states in a quasi one dimensional antiferromagnetic spin chain hexagonal Iridates Sr${}_3$MIrO${}_6$ (M=Mg, Zn, Cd): an $ab-initio$ comparative perspective
• The Co${}^{2+}$-Ir${}^{5+}$ orbital hybridization in LaCaCoIrO${}_6$ double perovskite
• `Interaction annealing' to determine effective quantized valence and orbital structure: an illustration with ferro-orbital order in WTe${}_2$
• Electronic and magnetic ground state of 4$d^3$ double perovskite ruthenates A${}_2$LaRuO${}_6$ (A $=$ Ca, Sr, Ba)